Jang, Kyoung-Soon; Park, Ki-Tae (2019): (Supplement S3) Chemical characteristics of the assigned elemental formulas from the FT-ICR MS data of Arctic aerosol-derived organic matter collected in Ny-Ålesund, 05-08 May [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.905590, In supplement to: Choi, J H; Jang, E; Yoon, Y J; Park, Jae Yeon; Kim, T-W; Becagli, Silvia; Caiazzo, L; Cappelletti, David; Krejci, Radovan; Eleftheriadis, Konstantinos; Park, Ki-Tae; Jang, Kyoung-Soon (2019): Influence of biogenic organics on the chemical composition of Arctic aerosols. Global Biogeochemical Cycles, 33(10), 1238-1250, https://doi.org/10.1029/2019GB006226
Always quote citation above when using data! You can download the citation in several formats below.
Coverage:
Latitude: 78.925600 * Longitude: 11.937700
Date/Time Start: 2015-05-05T00:00:00 * Date/Time End: 2015-05-08T00:00:00
Event(s):
Parameter(s):
| # | Name | Short Name | Unit | Principal Investigator | Method/Device | Comment |
|---|---|---|---|---|---|---|
| 1 | DATE/TIME | Date/Time | Jang, Kyoung-Soon | Geocode – start | ||
| 2 | DATE/TIME | Date/Time | Jang, Kyoung-Soon | Geocode – end | ||
| 3 | Molecular formula | Formula | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | ||
| 4 | Method comment | Method comm | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | adduct | |
| 5 | Mass-to-charge ratio | m/z | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | experimentally observed (Expt) | |
| 6 | Intensity | Intensity | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | mono | |
| 7 | Intensity | Intensity | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | total | |
| 8 | Mass-to-charge ratio | m/z | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | calculated (Calc) | |
| 9 | Error | Error | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | difference between m/z (Calc) and m/z (Expt) in parts per million | |
| 10 | Charge | Charge | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | ||
| 11 | Double bond equivalent | DBE | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | ||
| 12 | Oxygen/Carbon ratio | O/C | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | ||
| 13 | Hydrogen/Carbon ratio | H/C | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | ||
| 14 | Nitrogen/Carbon ratio | N/C | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | ||
| 15 | Sulfur/Carbon ratio | S/C | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | ||
| 16 | Aromaticity index | AI | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) | ||
| 17 | Class | Class | Jang, Kyoung-Soon | 15 Tesla Fourier transform ion cyclotron resonance mass spectrometer (15T FT-ICR MS) |
License:
Creative Commons Attribution 4.0 International (CC-BY-4.0)
Size:
21751 data points
Data
| 1 Date/Time (start) | 2 Date/Time (end) | 3 Formula | 4 Method comm (adduct) | 5 m/z (experimentally observed (Expt)) | 6 Intensity (mono) | 7 Intensity (total) | 8 m/z (calculated (Calc)) | 9 Error (difference between m/z (Calc)...) | 10 Charge | 11 DBE | 12 O/C | 13 H/C | 14 N/C | 15 S/C | 16 AI | 17 Class |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2015-05-05 | 2015-05-08 | C22H31NS | H | 340.210515 | 9812268 | 9812268.00 | 340.210444 | 0.2080 | -1 | 8 | 0.00 | 1.41 | 0.045 | 0.045 | 0.33 | CHNS |
| 2015-05-05 | 2015-05-08 | C18H15N5S | H | 332.097504 | 4700781 | 4700781.00 | 332.097540 | -0.1076 | -1 | 14 | 0.00 | 0.83 | 0.278 | 0.056 | 0.88 | CHNS |
| 2015-05-05 | 2015-05-08 | C22H34N2OS2 | H | 405.204051 | 5962334 | 5962334.00 | 405.203979 | 0.1785 | -1 | 7 | 0.05 | 1.55 | 0.091 | 0.091 | 0.18 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H24O | H | 255.175428 | 4173880 | 4173880.00 | 255.175439 | -0.0429 | -1 | 7 | 0.06 | 1.33 | 0.000 | 0.000 | 0.35 | CHO |
| 2015-05-05 | 2015-05-08 | C16H22O | H | 229.159797 | 7721613 | 7721613.00 | 229.159789 | 0.0355 | -1 | 6 | 0.06 | 1.38 | 0.000 | 0.000 | 0.33 | CHO |
| 2015-05-05 | 2015-05-08 | C16H24O | H | 231.175431 | 7028021 | 7028021.00 | 231.175439 | -0.0343 | -1 | 5 | 0.06 | 1.50 | 0.000 | 0.000 | 0.27 | CHO |
| 2015-05-05 | 2015-05-08 | C15H21NO | H | 230.155039 | 5023713 | 5023713.00 | 230.155038 | 0.0050 | -1 | 6 | 0.07 | 1.40 | 0.067 | 0.000 | 0.35 | CHON |
| 2015-05-05 | 2015-05-08 | C15H30O | H | 225.222382 | 4811347 | 4811347.00 | 225.222389 | -0.0317 | -1 | 1 | 0.07 | 2.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H23NO | H | 232.170668 | 4501059 | 4501059.00 | 232.170688 | -0.0858 | -1 | 5 | 0.07 | 1.53 | 0.067 | 0.000 | 0.27 | CHON |
| 2015-05-05 | 2015-05-08 | C28H36O2 | H | 403.264262 | 7489812 | 7489812.00 | 403.264254 | 0.0200 | -1 | 11 | 0.07 | 1.29 | 0.000 | 0.000 | 0.35 | CHO |
| 2015-05-05 | 2015-05-08 | C14H22O | H | 205.159792 | 61949868 | 71330329.44 | 205.159789 | 0.0152 | -1 | 4 | 0.07 | 1.57 | 0.000 | 0.000 | 0.23 | CHO |
| 2015-05-05 | 2015-05-08 | C14H25NO | H | 222.186336 | 4880943 | 4880943.00 | 222.186338 | -0.0089 | -1 | 3 | 0.07 | 1.79 | 0.071 | 0.000 | 0.13 | CHON |
| 2015-05-05 | 2015-05-08 | C13H22O | H | 193.159775 | 4456264 | 4456264.00 | 193.159789 | -0.0718 | -1 | 3 | 0.08 | 1.69 | 0.000 | 0.000 | 0.17 | CHO |
| 2015-05-05 | 2015-05-08 | C23H32O2 | H | 339.232943 | 16619143 | 16619143.00 | 339.232954 | -0.0319 | -1 | 8 | 0.09 | 1.39 | 0.000 | 0.000 | 0.29 | CHO |
| 2015-05-05 | 2015-05-08 | C22H45NO2S | H | 386.309854 | 10346143 | 10346143.00 | 386.309824 | 0.0778 | -1 | 1 | 0.09 | 2.05 | 0.045 | 0.045 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C22H31NO2 | H | 340.228203 | 4917560 | 4917560.00 | 340.228203 | 0.0006 | -1 | 8 | 0.09 | 1.41 | 0.045 | 0.000 | 0.29 | CHON |
| 2015-05-05 | 2015-05-08 | C11H18N2OS | H | 225.106707 | 30991270 | 34678394.82 | 225.106707 | -0.0020 | -1 | 4 | 0.09 | 1.64 | 0.182 | 0.091 | 0.14 | CHONS |
| 2015-05-05 | 2015-05-08 | C22H32O2 | H | 327.232950 | 7996491 | 7996491.00 | 327.232954 | -0.0117 | -1 | 7 | 0.09 | 1.45 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C11H20O | H | 167.144132 | 3910897 | 3910897.00 | 167.144139 | -0.0408 | -1 | 2 | 0.09 | 1.82 | 0.000 | 0.000 | 0.10 | CHO |
| 2015-05-05 | 2015-05-08 | C20H26O2 | H | 297.186004 | 4737917 | 4737917.00 | 297.186004 | 0.0013 | -1 | 8 | 0.10 | 1.30 | 0.000 | 0.000 | 0.33 | CHO |
| 2015-05-05 | 2015-05-08 | C30H48O3 | H | 455.353020 | 5446362 | 5446362.00 | 455.353069 | -0.1075 | -1 | 7 | 0.10 | 1.60 | 0.000 | 0.000 | 0.15 | CHO |
| 2015-05-05 | 2015-05-08 | C19H32N2O2 | H | 319.239144 | 5500250 | 5500250.00 | 319.239102 | 0.1321 | -1 | 5 | 0.11 | 1.68 | 0.105 | 0.000 | 0.13 | CHON |
| 2015-05-05 | 2015-05-08 | C19H24O2 | H | 283.170378 | 4316986 | 4316986.00 | 283.170354 | 0.0863 | -1 | 8 | 0.11 | 1.26 | 0.000 | 0.000 | 0.35 | CHO |
| 2015-05-05 | 2015-05-08 | C19H29NO2 | H | 302.212576 | 6145035 | 6145035.00 | 302.212553 | 0.0770 | -1 | 6 | 0.11 | 1.53 | 0.053 | 0.000 | 0.22 | CHON |
| 2015-05-05 | 2015-05-08 | C19H32O2 | H | 291.232977 | 6386783 | 6386783.00 | 291.232954 | 0.0796 | -1 | 4 | 0.11 | 1.68 | 0.000 | 0.000 | 0.12 | CHO |
| 2015-05-05 | 2015-05-08 | C19H28O2 | H | 287.201673 | 7844171 | 7844171.00 | 287.201654 | 0.0672 | -1 | 6 | 0.11 | 1.47 | 0.000 | 0.000 | 0.24 | CHO |
| 2015-05-05 | 2015-05-08 | C19H26O2 | H | 285.186018 | 7411751 | 7411751.00 | 285.186004 | 0.0504 | -1 | 7 | 0.11 | 1.37 | 0.000 | 0.000 | 0.29 | CHO |
| 2015-05-05 | 2015-05-08 | C19H31NO2 | H | 304.228204 | 4478988 | 4478988.00 | 304.228203 | 0.0040 | -1 | 5 | 0.11 | 1.63 | 0.053 | 0.000 | 0.16 | CHON |
| 2015-05-05 | 2015-05-08 | C19H27NO2 | H | 300.196899 | 6320219 | 6320219.00 | 300.196903 | -0.0122 | -1 | 7 | 0.11 | 1.42 | 0.053 | 0.000 | 0.28 | CHON |
| 2015-05-05 | 2015-05-08 | C19H30O2 | H | 289.217295 | 11608751 | 11608751.00 | 289.217304 | -0.0303 | -1 | 5 | 0.11 | 1.58 | 0.000 | 0.000 | 0.18 | CHO |
| 2015-05-05 | 2015-05-08 | C18H28O2 | H | 275.201656 | 11795652 | 11795652.00 | 275.201654 | 0.0084 | -1 | 5 | 0.11 | 1.56 | 0.000 | 0.000 | 0.19 | CHO |
| 2015-05-05 | 2015-05-08 | C18H26O2 | H | 273.186001 | 13130813 | 13130813.00 | 273.186004 | -0.0096 | -1 | 6 | 0.11 | 1.44 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C9H19NOS | H | 188.111454 | 14138089 | 14138089.00 | 188.111458 | -0.0238 | -1 | 1 | 0.11 | 2.11 | 0.111 | 0.111 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H29NO2 | H | 290.212544 | 4854650 | 4854650.00 | 290.212553 | -0.0301 | -1 | 5 | 0.11 | 1.61 | 0.056 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C18H24O2 | H | 271.170333 | 6800297 | 6800297.00 | 271.170354 | -0.0758 | -1 | 7 | 0.11 | 1.33 | 0.000 | 0.000 | 0.31 | CHO |
| 2015-05-05 | 2015-05-08 | C9H19NOS2 | H | 220.083508 | 4016446 | 4016446.00 | 220.083529 | -0.0962 | -1 | 1 | 0.11 | 2.11 | 0.111 | 0.222 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H27NO2 | H | 288.196866 | 5476850 | 5476850.00 | 288.196903 | -0.1272 | -1 | 6 | 0.11 | 1.50 | 0.056 | 0.000 | 0.23 | CHON |
| 2015-05-05 | 2015-05-08 | C18H36O2 | H | 283.264212 | 1419943808 | 1661738850.00 | 283.264254 | -0.1481 | -1 | 1 | 0.11 | 2.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H35NO2 | H | 284.259520 | 9433012 | 9433012.00 | 284.259503 | 0.0601 | -1 | 1 | 0.12 | 2.06 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H29NO2 | H | 278.212566 | 8875407 | 8875407.00 | 278.212553 | 0.0477 | -1 | 4 | 0.12 | 1.71 | 0.059 | 0.000 | 0.11 | CHON |
| 2015-05-05 | 2015-05-08 | C17H26O2 | H | 261.186010 | 6489749 | 6489749.00 | 261.186004 | 0.0244 | -1 | 5 | 0.12 | 1.53 | 0.000 | 0.000 | 0.20 | CHO |
| 2015-05-05 | 2015-05-08 | C17H23NO2 | H | 272.165603 | 5227508 | 5227508.00 | 272.165603 | 0.0017 | -1 | 7 | 0.12 | 1.35 | 0.059 | 0.000 | 0.32 | CHON |
| 2015-05-05 | 2015-05-08 | C17H25NO2 | H | 274.181249 | 13196416 | 13196416.00 | 274.181253 | -0.0131 | -1 | 6 | 0.12 | 1.47 | 0.059 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C17H28O2S | H | 295.173707 | 5013683 | 5013683.00 | 295.173724 | -0.0589 | -1 | 4 | 0.12 | 1.65 | 0.000 | 0.059 | 0.07 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H28O2 | H | 263.201634 | 6879244 | 6879244.00 | 263.201654 | -0.0748 | -1 | 4 | 0.12 | 1.65 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C17H24O2 | H | 259.170329 | 5500112 | 5500112.00 | 259.170354 | -0.0948 | -1 | 6 | 0.12 | 1.41 | 0.000 | 0.000 | 0.27 | CHO |
| 2015-05-05 | 2015-05-08 | C25H51NO3S | H | 444.351722 | 4833061 | 4833061.00 | 444.351689 | 0.0748 | -1 | 1 | 0.12 | 2.04 | 0.040 | 0.040 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C24H37N3O3 | H | 414.276226 | 5349697 | 5349697.00 | 414.276216 | 0.0251 | -1 | 8 | 0.13 | 1.54 | 0.125 | 0.000 | 0.19 | CHON |
| 2015-05-05 | 2015-05-08 | C16H25NO2 | H | 262.181258 | 5068632 | 5068632.00 | 262.181253 | 0.0206 | -1 | 5 | 0.13 | 1.56 | 0.063 | 0.000 | 0.19 | CHON |
| 2015-05-05 | 2015-05-08 | C24H49NO3S | H | 430.336044 | 30539864 | 38502225.39 | 430.336039 | 0.0124 | -1 | 1 | 0.13 | 2.04 | 0.042 | 0.042 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C16H5NO2S | H | 273.996819 | 4713588 | 4713588.00 | 273.996823 | -0.0133 | -1 | 15 | 0.13 | 0.31 | 0.063 | 0.063 | 0.96 | CHONS |
| 2015-05-05 | 2015-05-08 | C16H32N2O2 | H | 283.239092 | 5975873 | 5975873.00 | 283.239102 | -0.0347 | -1 | 2 | 0.13 | 2.00 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C24H31NO3 | H | 380.223099 | 5847630 | 5847630.00 | 380.223117 | -0.0484 | -1 | 10 | 0.13 | 1.29 | 0.042 | 0.000 | 0.33 | CHON |
| 2015-05-05 | 2015-05-08 | C23H42O3 | H | 365.306109 | 4762463 | 4762463.00 | 365.306119 | -0.0267 | -1 | 3 | 0.13 | 1.83 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H32O3 | H | 355.227849 | 4916158 | 4916158.00 | 355.227868 | -0.0547 | -1 | 8 | 0.13 | 1.39 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C15H21NO2 | H | 246.149969 | 4276987 | 4276987.00 | 246.149952 | 0.0671 | -1 | 6 | 0.13 | 1.40 | 0.067 | 0.000 | 0.29 | CHON |
| 2015-05-05 | 2015-05-08 | C15H29NO2 | H | 254.212566 | 6985438 | 6985438.00 | 254.212553 | 0.0522 | -1 | 2 | 0.13 | 1.93 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H27NO2 | H | 252.196911 | 6568881 | 6568881.00 | 252.196903 | 0.0331 | -1 | 3 | 0.13 | 1.80 | 0.067 | 0.000 | 0.04 | CHON |
| 2015-05-05 | 2015-05-08 | C15H26O2 | H | 237.186009 | 10694989 | 10694989.00 | 237.186004 | 0.0227 | -1 | 3 | 0.13 | 1.73 | 0.000 | 0.000 | 0.08 | CHO |
| 2015-05-05 | 2015-05-08 | C15H24N2O2 | H | 263.176501 | 5214216 | 5214216.00 | 263.176502 | -0.0022 | -1 | 5 | 0.13 | 1.60 | 0.133 | 0.000 | 0.18 | CHON |
| 2015-05-05 | 2015-05-08 | C15H28N2O2 | H | 267.207793 | 4205110 | 4205110.00 | 267.207802 | -0.0326 | -1 | 3 | 0.13 | 1.87 | 0.133 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H23NO2 | H | 248.165592 | 8496074 | 8496074.00 | 248.165603 | -0.0425 | -1 | 5 | 0.13 | 1.53 | 0.067 | 0.000 | 0.21 | CHON |
| 2015-05-05 | 2015-05-08 | C22H30O3 | H | 341.212245 | 7048152 | 7048152.00 | 341.212218 | 0.0780 | -1 | 8 | 0.14 | 1.36 | 0.000 | 0.000 | 0.26 | CHO |
| 2015-05-05 | 2015-05-08 | C22H38O3 | H | 349.274843 | 4784037 | 4784037.00 | 349.274819 | 0.0698 | -1 | 4 | 0.14 | 1.73 | 0.000 | 0.000 | 0.05 | CHO |
| 2015-05-05 | 2015-05-08 | C22H36O3 | H | 347.259160 | 5393158 | 5393158.00 | 347.259169 | -0.0247 | -1 | 5 | 0.14 | 1.64 | 0.000 | 0.000 | 0.11 | CHO |
| 2015-05-05 | 2015-05-08 | C22H32O3 | H | 343.227832 | 9994521 | 9994521.00 | 343.227868 | -0.1062 | -1 | 7 | 0.14 | 1.45 | 0.000 | 0.000 | 0.21 | CHO |
| 2015-05-05 | 2015-05-08 | C21H29NO3 | H | 342.207542 | 8937078 | 8937078.00 | 342.207467 | 0.2181 | -1 | 8 | 0.14 | 1.38 | 0.048 | 0.000 | 0.26 | CHON |
| 2015-05-05 | 2015-05-08 | C28H40O4 | H | 439.285441 | 6322616 | 6322616.00 | 439.285383 | 0.1313 | -1 | 9 | 0.14 | 1.43 | 0.000 | 0.000 | 0.21 | CHO |
| 2015-05-05 | 2015-05-08 | C21H33NO3 | H | 346.238803 | 5466264 | 5466264.00 | 346.238767 | 0.1026 | -1 | 6 | 0.14 | 1.57 | 0.048 | 0.000 | 0.15 | CHON |
| 2015-05-05 | 2015-05-08 | C21H36O3 | H | 335.259190 | 7162746 | 7162746.00 | 335.259169 | 0.0639 | -1 | 4 | 0.14 | 1.71 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C21H43NO3S | H | 388.289109 | 5750758 | 5750758.00 | 388.289088 | 0.0528 | -1 | 1 | 0.14 | 2.05 | 0.048 | 0.048 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H30O3 | H | 329.212224 | 11942414 | 11942414.00 | 329.212218 | 0.0171 | -1 | 7 | 0.14 | 1.43 | 0.000 | 0.000 | 0.22 | CHO |
| 2015-05-05 | 2015-05-08 | C14H25NO2 | H | 238.181255 | 7621973 | 7621973.00 | 238.181253 | 0.0101 | -1 | 3 | 0.14 | 1.79 | 0.071 | 0.000 | 0.05 | CHON |
| 2015-05-05 | 2015-05-08 | C14H18O2 | H | 217.123404 | 4463277 | 4463277.00 | 217.123403 | 0.0029 | -1 | 6 | 0.14 | 1.29 | 0.000 | 0.000 | 0.33 | CHO |
| 2015-05-05 | 2015-05-08 | C14H21NO2 | H | 234.149952 | 10339293 | 10339293.00 | 234.149952 | -0.0020 | -1 | 5 | 0.14 | 1.50 | 0.071 | 0.000 | 0.23 | CHON |
| 2015-05-05 | 2015-05-08 | C14H27NO2 | H | 240.196893 | 7564519 | 7564519.00 | 240.196903 | -0.0402 | -1 | 2 | 0.14 | 1.93 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H20O2 | H | 219.139043 | 4958043 | 4958043.00 | 219.139053 | -0.0476 | -1 | 5 | 0.14 | 1.43 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C14H22N2O2 | H | 249.160840 | 5088755 | 5088755.00 | 249.160852 | -0.0462 | -1 | 5 | 0.14 | 1.57 | 0.143 | 0.000 | 0.20 | CHON |
| 2015-05-05 | 2015-05-08 | C21H28O3 | H | 327.196554 | 5567536 | 5567536.00 | 327.196568 | -0.0437 | -1 | 8 | 0.14 | 1.33 | 0.000 | 0.000 | 0.28 | CHO |
| 2015-05-05 | 2015-05-08 | C21H32O3 | H | 331.227853 | 9281513 | 9281513.00 | 331.227868 | -0.0466 | -1 | 6 | 0.14 | 1.52 | 0.000 | 0.000 | 0.17 | CHO |
| 2015-05-05 | 2015-05-08 | C14H23NO2 | H | 236.165587 | 5858553 | 5858553.00 | 236.165603 | -0.0658 | -1 | 4 | 0.14 | 1.64 | 0.071 | 0.000 | 0.14 | CHON |
| 2015-05-05 | 2015-05-08 | C21H34O3 | H | 333.243483 | 6051257 | 6051257.00 | 333.243519 | -0.1065 | -1 | 5 | 0.14 | 1.62 | 0.000 | 0.000 | 0.11 | CHO |
| 2015-05-05 | 2015-05-08 | C20H29NO3 | H | 330.207481 | 8281331 | 8281331.00 | 330.207467 | 0.0413 | -1 | 7 | 0.15 | 1.45 | 0.050 | 0.000 | 0.22 | CHON |
| 2015-05-05 | 2015-05-08 | C20H33NO3S | H | 366.210837 | 8891525 | 8891525.00 | 366.210838 | -0.0032 | -1 | 5 | 0.15 | 1.65 | 0.050 | 0.050 | 0.03 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H30O3S | H | 349.184286 | 5238642 | 5238642.00 | 349.184289 | -0.0088 | -1 | 6 | 0.15 | 1.50 | 0.000 | 0.050 | 0.13 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H31NO3S | H | 364.195185 | 7662057 | 7662057.00 | 364.195188 | -0.0085 | -1 | 6 | 0.15 | 1.55 | 0.050 | 0.050 | 0.10 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H32O3 | H | 319.227865 | 13090130 | 13090130.00 | 319.227868 | -0.0108 | -1 | 5 | 0.15 | 1.60 | 0.000 | 0.000 | 0.12 | CHO |
| 2015-05-05 | 2015-05-08 | C20H31NO3 | H | 332.223113 | 10175177 | 10175177.00 | 332.223117 | -0.0133 | -1 | 6 | 0.15 | 1.55 | 0.050 | 0.000 | 0.16 | CHON |
| 2015-05-05 | 2015-05-08 | C20H32O3S | H | 351.199933 | 14726097 | 14726097.00 | 351.199939 | -0.0175 | -1 | 5 | 0.15 | 1.60 | 0.000 | 0.050 | 0.06 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H41NO3S | H | 374.273431 | 9065794 | 9065794.00 | 374.273438 | -0.0198 | -1 | 1 | 0.15 | 2.05 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H30N2O3 | H | 345.218347 | 5215771 | 5215771.00 | 345.218366 | -0.0562 | -1 | 7 | 0.15 | 1.50 | 0.100 | 0.000 | 0.20 | CHON |
| 2015-05-05 | 2015-05-08 | C20H26O3 | H | 313.180889 | 12152066 | 12152066.00 | 313.180918 | -0.0934 | -1 | 8 | 0.15 | 1.30 | 0.000 | 0.000 | 0.29 | CHO |
| 2015-05-05 | 2015-05-08 | C20H33NO3 | H | 334.238718 | 6510739 | 6510739.00 | 334.238767 | -0.1480 | -1 | 5 | 0.15 | 1.65 | 0.050 | 0.000 | 0.09 | CHON |
| 2015-05-05 | 2015-05-08 | C13H21NO2 | H | 222.149961 | 4290550 | 4290550.00 | 222.149952 | 0.0384 | -1 | 4 | 0.15 | 1.62 | 0.077 | 0.000 | 0.15 | CHON |
| 2015-05-05 | 2015-05-08 | C13H20O2 | H | 207.139061 | 12200888 | 12200888.00 | 207.139053 | 0.0365 | -1 | 4 | 0.15 | 1.54 | 0.000 | 0.000 | 0.18 | CHO |
| 2015-05-05 | 2015-05-08 | C13H24O2 | H | 211.170360 | 10618087 | 10618087.00 | 211.170354 | 0.0305 | -1 | 2 | 0.15 | 1.85 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H23NO2 | H | 224.165605 | 7484952 | 7484952.00 | 224.165603 | 0.0110 | -1 | 3 | 0.15 | 1.77 | 0.077 | 0.000 | 0.05 | CHON |
| 2015-05-05 | 2015-05-08 | C19H34O3S | H | 341.215631 | 5757914 | 5757914.00 | 341.215589 | 0.1225 | -1 | 3 | 0.16 | 1.79 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H29NO3 | H | 318.207485 | 8387196 | 8387196.00 | 318.207467 | 0.0555 | -1 | 6 | 0.16 | 1.53 | 0.053 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C19H28O3 | H | 303.196585 | 17044982 | 17044982.00 | 303.196568 | 0.0550 | -1 | 6 | 0.16 | 1.47 | 0.000 | 0.000 | 0.19 | CHO |
| 2015-05-05 | 2015-05-08 | C19H27NO3 | H | 316.191824 | 9344248 | 9344248.00 | 316.191817 | 0.0212 | -1 | 7 | 0.16 | 1.42 | 0.053 | 0.000 | 0.23 | CHON |
| 2015-05-05 | 2015-05-08 | C19H34N2O3 | H | 337.249669 | 4940049 | 4940049.00 | 337.249667 | 0.0074 | -1 | 4 | 0.16 | 1.79 | 0.105 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H30O3 | H | 305.212209 | 18799132 | 18799132.00 | 305.212218 | -0.0307 | -1 | 5 | 0.16 | 1.58 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C19H29NO3S | H | 350.179527 | 20378018 | 20378018.00 | 350.179538 | -0.0315 | -1 | 6 | 0.16 | 1.53 | 0.053 | 0.053 | 0.11 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H31NO3S | H | 352.195177 | 44807648 | 53517762.00 | 352.195188 | -0.0315 | -1 | 5 | 0.16 | 1.63 | 0.053 | 0.053 | 0.04 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H33NO3S | H | 354.210826 | 47266264 | 47266264.00 | 354.210838 | -0.0344 | -1 | 4 | 0.16 | 1.74 | 0.053 | 0.053 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H32N2O3 | H | 335.233994 | 5102439 | 5102439.00 | 335.234016 | -0.0670 | -1 | 5 | 0.16 | 1.68 | 0.105 | 0.000 | 0.07 | CHON |
| 2015-05-05 | 2015-05-08 | C19H24O3 | H | 299.165240 | 10047129 | 10047129.00 | 299.165268 | -0.0942 | -1 | 8 | 0.16 | 1.26 | 0.000 | 0.000 | 0.31 | CHO |
| 2015-05-05 | 2015-05-08 | C19H31NO3 | H | 320.223074 | 7856158 | 7856158.00 | 320.223117 | -0.1356 | -1 | 5 | 0.16 | 1.63 | 0.053 | 0.000 | 0.10 | CHON |
| 2015-05-05 | 2015-05-08 | C19H23NO3 | H | 312.160466 | 6605414 | 6605414.00 | 312.160517 | -0.1639 | -1 | 9 | 0.16 | 1.21 | 0.053 | 0.000 | 0.37 | CHON |
| 2015-05-05 | 2015-05-08 | C19H36N2O3 | H | 339.265261 | 5101213 | 5101213.00 | 339.265317 | -0.1638 | -1 | 3 | 0.16 | 1.89 | 0.105 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C25H47NO4 | H | 424.343207 | 5900897 | 5900897.00 | 424.343233 | -0.0602 | -1 | 3 | 0.16 | 1.88 | 0.040 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C25H46O4 | H | 409.332293 | 6024530 | 6024530.00 | 409.332334 | -0.0990 | -1 | 3 | 0.16 | 1.84 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C24H47NO4 | H | 412.343285 | 5631915 | 5631915.00 | 412.343233 | 0.1272 | -1 | 2 | 0.17 | 1.96 | 0.042 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H22O3 | H | 285.149666 | 7942178 | 7942178.00 | 285.149618 | 0.1679 | -1 | 8 | 0.17 | 1.22 | 0.000 | 0.000 | 0.33 | CHO |
| 2015-05-05 | 2015-05-08 | C18H32N2O3 | H | 323.234042 | 5576884 | 5576884.00 | 323.234016 | 0.0790 | -1 | 4 | 0.17 | 1.78 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H32O3S | H | 327.199964 | 10204210 | 10204210.00 | 327.199939 | 0.0760 | -1 | 3 | 0.17 | 1.78 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H34N2O3 | H | 325.249690 | 5947015 | 5947015.00 | 325.249667 | 0.0722 | -1 | 3 | 0.17 | 1.89 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H24O3 | H | 287.165290 | 13099332 | 13099332.00 | 287.165268 | 0.0760 | -1 | 7 | 0.17 | 1.33 | 0.000 | 0.000 | 0.27 | CHO |
| 2015-05-05 | 2015-05-08 | C24H44O4 | H | 395.316705 | 6386735 | 6386735.00 | 395.316683 | 0.0545 | -1 | 3 | 0.17 | 1.83 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H21NO3 | H | 298.144882 | 6753523 | 6753523.00 | 298.144867 | 0.0500 | -1 | 9 | 0.17 | 1.17 | 0.056 | 0.000 | 0.39 | CHON |
| 2015-05-05 | 2015-05-08 | C24H32O4 | H | 383.222796 | 4791429 | 4791429.00 | 383.222783 | 0.0338 | -1 | 9 | 0.17 | 1.33 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C24H48O4S | H | 431.320067 | 6185307 | 6185307.00 | 431.320054 | 0.0295 | -1 | 1 | 0.17 | 2.00 | 0.000 | 0.042 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C24H33NO4 | H | 398.233688 | 4650480 | 4650480.00 | 398.233682 | 0.0148 | -1 | 9 | 0.17 | 1.38 | 0.042 | 0.000 | 0.24 | CHON |
| 2015-05-05 | 2015-05-08 | C12H21NO2 | H | 210.149954 | 3980920 | 3980920.00 | 210.149952 | 0.0073 | -1 | 3 | 0.17 | 1.75 | 0.083 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C24H34O4 | H | 385.238434 | 4820457 | 4820457.00 | 385.238433 | 0.0023 | -1 | 8 | 0.17 | 1.42 | 0.000 | 0.000 | 0.20 | CHO |
| 2015-05-05 | 2015-05-08 | C18H27NO3S | H | 336.163888 | 20958726 | 20958726.00 | 336.163888 | 0.0001 | -1 | 6 | 0.17 | 1.50 | 0.056 | 0.056 | 0.12 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H23NO3 | H | 300.160515 | 7884875 | 7884875.00 | 300.160517 | -0.0072 | -1 | 8 | 0.17 | 1.28 | 0.056 | 0.000 | 0.32 | CHON |
| 2015-05-05 | 2015-05-08 | C18H33NO3S | H | 342.210835 | 5021304 | 5021304.00 | 342.210838 | -0.0093 | -1 | 3 | 0.17 | 1.83 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H27NO3 | H | 304.191813 | 9422841 | 9422841.00 | 304.191817 | -0.0141 | -1 | 6 | 0.17 | 1.50 | 0.056 | 0.000 | 0.18 | CHON |
| 2015-05-05 | 2015-05-08 | C18H25NO3 | H | 302.176160 | 7320570 | 7320570.00 | 302.176167 | -0.0239 | -1 | 7 | 0.17 | 1.39 | 0.056 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C18H36N2O3 | H | 327.265304 | 4789347 | 4789347.00 | 327.265317 | -0.0384 | -1 | 2 | 0.17 | 2.00 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H29NO3 | H | 306.207454 | 7969860 | 7969860.00 | 306.207467 | -0.0436 | -1 | 5 | 0.17 | 1.61 | 0.056 | 0.000 | 0.11 | CHON |
| 2015-05-05 | 2015-05-08 | C18H25NO3S | H | 334.148224 | 5662801 | 5662801.00 | 334.148238 | -0.0416 | -1 | 7 | 0.17 | 1.39 | 0.056 | 0.056 | 0.19 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H29NO3S | H | 338.179515 | 56005540 | 66783752.00 | 338.179538 | -0.0681 | -1 | 5 | 0.17 | 1.61 | 0.056 | 0.056 | 0.04 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H29N3O3 | H | 334.213583 | 4634752 | 4634752.00 | 334.213615 | -0.0968 | -1 | 6 | 0.17 | 1.61 | 0.167 | 0.000 | 0.13 | CHON |
| 2015-05-05 | 2015-05-08 | C23H31NO4 | H | 384.218086 | 4640055 | 4640055.00 | 384.218032 | 0.1405 | -1 | 9 | 0.17 | 1.35 | 0.043 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C23H36O4 | H | 375.254108 | 5449257 | 5449257.00 | 375.254083 | 0.0661 | -1 | 6 | 0.17 | 1.57 | 0.000 | 0.000 | 0.11 | CHO |
| 2015-05-05 | 2015-05-08 | C23H38O4 | H | 377.269757 | 5887980 | 5887980.00 | 377.269733 | 0.0629 | -1 | 5 | 0.17 | 1.65 | 0.000 | 0.000 | 0.05 | CHO |
| 2015-05-05 | 2015-05-08 | C23H32O4 | H | 371.222786 | 6132287 | 6132287.00 | 371.222783 | 0.0079 | -1 | 8 | 0.17 | 1.39 | 0.000 | 0.000 | 0.21 | CHO |
| 2015-05-05 | 2015-05-08 | C23H34N2O4 | H | 401.244569 | 6494154 | 6494154.00 | 401.244581 | -0.0303 | -1 | 8 | 0.17 | 1.48 | 0.087 | 0.000 | 0.18 | CHON |
| 2015-05-05 | 2015-05-08 | C23H41NO4 | H | 394.296265 | 5886867 | 5886867.00 | 394.296282 | -0.0440 | -1 | 4 | 0.17 | 1.78 | 0.043 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C23H40O4 | H | 379.285365 | 6052243 | 6052243.00 | 379.285383 | -0.0483 | -1 | 4 | 0.17 | 1.74 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H42O4 | H | 381.301015 | 7199519 | 7199519.00 | 381.301033 | -0.0482 | -1 | 3 | 0.17 | 1.83 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H34O4 | H | 373.238414 | 5166150 | 5166150.00 | 373.238433 | -0.0512 | -1 | 7 | 0.17 | 1.48 | 0.000 | 0.000 | 0.16 | CHO |
| 2015-05-05 | 2015-05-08 | C17H34N2O3 | H | 313.249695 | 5979440 | 5979440.00 | 313.249667 | 0.0909 | -1 | 2 | 0.18 | 2.00 | 0.118 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H25NO3S | H | 322.148258 | 11117974 | 11117974.00 | 322.148238 | 0.0624 | -1 | 6 | 0.18 | 1.47 | 0.059 | 0.059 | 0.13 | CHONS |
| 2015-05-05 | 2015-05-08 | C17H32N2O3 | H | 311.234017 | 6801426 | 6801426.00 | 311.234016 | 0.0018 | -1 | 3 | 0.18 | 1.88 | 0.118 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H27NO3S | H | 324.163886 | 30927714 | 36614311.94 | 324.163888 | -0.0061 | -1 | 5 | 0.18 | 1.59 | 0.059 | 0.059 | 0.04 | CHONS |
| 2015-05-05 | 2015-05-08 | C17H20O3 | H | 271.133953 | 5901222 | 5901222.00 | 271.133968 | -0.0555 | -1 | 8 | 0.18 | 1.18 | 0.000 | 0.000 | 0.36 | CHO |
| 2015-05-05 | 2015-05-08 | C17H23NO3 | H | 288.160498 | 6857195 | 6857195.00 | 288.160517 | -0.0665 | -1 | 7 | 0.18 | 1.35 | 0.059 | 0.000 | 0.27 | CHON |
| 2015-05-05 | 2015-05-08 | C17H30O3S | H | 313.184248 | 7597316 | 7597316.00 | 313.184289 | -0.1311 | -1 | 3 | 0.18 | 1.76 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C22H38O4 | H | 365.269756 | 13609811 | 13609811.00 | 365.269733 | 0.0623 | -1 | 4 | 0.18 | 1.73 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H34O4 | H | 361.238451 | 8848825 | 8848825.00 | 361.238433 | 0.0495 | -1 | 6 | 0.18 | 1.55 | 0.000 | 0.000 | 0.11 | CHO |
| 2015-05-05 | 2015-05-08 | C22H39NO4 | H | 380.280643 | 5814874 | 5814874.00 | 380.280632 | 0.0282 | -1 | 4 | 0.18 | 1.77 | 0.045 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C22H31NO4 | H | 372.218039 | 5829443 | 5829443.00 | 372.218032 | 0.0187 | -1 | 8 | 0.18 | 1.41 | 0.045 | 0.000 | 0.21 | CHON |
| 2015-05-05 | 2015-05-08 | C11H16N2O2 | H | 207.113908 | 5052305 | 5052305.00 | 207.113901 | 0.0323 | -1 | 5 | 0.18 | 1.45 | 0.182 | 0.000 | 0.29 | CHON |
| 2015-05-05 | 2015-05-08 | C11H20O2 | H | 183.139060 | 7611460 | 7611460.00 | 183.139053 | 0.0359 | -1 | 2 | 0.18 | 1.82 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H32O4 | H | 359.222787 | 9495195 | 9495195.00 | 359.222783 | 0.0110 | -1 | 7 | 0.18 | 1.45 | 0.000 | 0.000 | 0.17 | CHO |
| 2015-05-05 | 2015-05-08 | C22H33NO4 | H | 374.233685 | 6800696 | 6800696.00 | 374.233682 | 0.0077 | -1 | 7 | 0.18 | 1.50 | 0.045 | 0.000 | 0.15 | CHON |
| 2015-05-05 | 2015-05-08 | C11H14O2 | H | 177.092098 | 8853464 | 8853464.00 | 177.092103 | -0.0296 | -1 | 5 | 0.18 | 1.27 | 0.000 | 0.000 | 0.33 | CHO |
| 2015-05-05 | 2015-05-08 | C11H18O2 | H | 181.123398 | 3958040 | 3958040.00 | 181.123403 | -0.0296 | -1 | 3 | 0.18 | 1.64 | 0.000 | 0.000 | 0.11 | CHO |
| 2015-05-05 | 2015-05-08 | C22H45NO4S | H | 418.299639 | 5006525 | 5006525.00 | 418.299653 | -0.0339 | -1 | 1 | 0.18 | 2.05 | 0.045 | 0.045 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C22H30O4S | H | 389.179182 | 7078006 | 7078006.00 | 389.179204 | -0.0557 | -1 | 8 | 0.18 | 1.36 | 0.000 | 0.045 | 0.18 | CHOS |
| 2015-05-05 | 2015-05-08 | C22H36O4 | H | 363.254036 | 6568096 | 6568096.00 | 363.254083 | -0.1299 | -1 | 5 | 0.18 | 1.64 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C22H37NO4 | H | 378.264934 | 4774080 | 4774080.00 | 378.264982 | -0.1275 | -1 | 5 | 0.18 | 1.68 | 0.045 | 0.000 | 0.03 | CHON |
| 2015-05-05 | 2015-05-08 | C22H35NO4 | H | 376.249281 | 9557771 | 9557771.00 | 376.249332 | -0.1360 | -1 | 6 | 0.18 | 1.59 | 0.045 | 0.000 | 0.09 | CHON |
| 2015-05-05 | 2015-05-08 | C27H43NO5 | H | 460.306920 | 5627890 | 5627890.00 | 460.306847 | 0.1585 | -1 | 7 | 0.19 | 1.59 | 0.037 | 0.000 | 0.07 | CHON |
| 2015-05-05 | 2015-05-08 | C27H50O5 | H | 453.358541 | 4753602 | 4753602.00 | 453.358548 | -0.0160 | -1 | 3 | 0.19 | 1.85 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H26N2O3 | H | 293.187110 | 4660822 | 4660822.00 | 293.187066 | 0.1492 | -1 | 5 | 0.19 | 1.63 | 0.125 | 0.000 | 0.09 | CHON |
| 2015-05-05 | 2015-05-08 | C16H17NO3 | H | 270.113590 | 4647763 | 4647763.00 | 270.113567 | 0.0853 | -1 | 9 | 0.19 | 1.06 | 0.063 | 0.000 | 0.46 | CHON |
| 2015-05-05 | 2015-05-08 | C16H21NO3 | H | 274.144890 | 4629630 | 4629630.00 | 274.144867 | 0.0836 | -1 | 7 | 0.19 | 1.31 | 0.063 | 0.000 | 0.29 | CHON |
| 2015-05-05 | 2015-05-08 | C16H22O3S | H | 293.121706 | 9918019 | 9918019.00 | 293.121689 | 0.0586 | -1 | 6 | 0.19 | 1.38 | 0.000 | 0.063 | 0.17 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H23NO3 | H | 276.160519 | 26205444 | 30740339.53 | 276.160517 | 0.0067 | -1 | 6 | 0.19 | 1.44 | 0.063 | 0.000 | 0.21 | CHON |
| 2015-05-05 | 2015-05-08 | C16H25NO3S | H | 310.148235 | 9413990 | 9413990.00 | 310.148238 | -0.0094 | -1 | 5 | 0.19 | 1.56 | 0.063 | 0.063 | 0.05 | CHONS |
| 2015-05-05 | 2015-05-08 | C16H22O3 | H | 261.149612 | 9807502 | 9807502.00 | 261.149618 | -0.0234 | -1 | 6 | 0.19 | 1.38 | 0.000 | 0.000 | 0.23 | CHO |
| 2015-05-05 | 2015-05-08 | C16H19NO3 | H | 272.129209 | 4662258 | 4662258.00 | 272.129217 | -0.0295 | -1 | 8 | 0.19 | 1.19 | 0.063 | 0.000 | 0.38 | CHON |
| 2015-05-05 | 2015-05-08 | C16H18O3S | H | 289.090373 | 5517974 | 5517974.00 | 289.090389 | -0.0542 | -1 | 8 | 0.19 | 1.13 | 0.000 | 0.063 | 0.33 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H32N2O3 | H | 299.233998 | 4808374 | 4808374.00 | 299.234016 | -0.0617 | -1 | 2 | 0.19 | 2.00 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H28N2O3 | H | 295.202697 | 4843708 | 4843708.00 | 295.202716 | -0.0655 | -1 | 4 | 0.19 | 1.75 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H20O3 | H | 259.133947 | 5747911 | 5747911.00 | 259.133968 | -0.0813 | -1 | 7 | 0.19 | 1.25 | 0.000 | 0.000 | 0.31 | CHO |
| 2015-05-05 | 2015-05-08 | C16H23NO3S | H | 308.132559 | 6275228 | 6275228.00 | 308.132588 | -0.0936 | -1 | 6 | 0.19 | 1.44 | 0.063 | 0.063 | 0.14 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H27NO4 | H | 356.186771 | 6212986 | 6212986.00 | 356.186732 | 0.1098 | -1 | 9 | 0.19 | 1.29 | 0.048 | 0.000 | 0.28 | CHON |
| 2015-05-05 | 2015-05-08 | C21H31NO4 | H | 360.218049 | 12395564 | 12395564.00 | 360.218032 | 0.0471 | -1 | 7 | 0.19 | 1.48 | 0.048 | 0.000 | 0.16 | CHON |
| 2015-05-05 | 2015-05-08 | C21H32O4 | H | 347.222799 | 10283760 | 10283760.00 | 347.222783 | 0.0459 | -1 | 6 | 0.19 | 1.52 | 0.000 | 0.000 | 0.12 | CHO |
| 2015-05-05 | 2015-05-08 | C21H28O4 | H | 343.191495 | 7880961 | 7880961.00 | 343.191483 | 0.0352 | -1 | 8 | 0.19 | 1.33 | 0.000 | 0.000 | 0.24 | CHO |
| 2015-05-05 | 2015-05-08 | C21H34O4 | H | 349.238443 | 8613776 | 8613776.00 | 349.238433 | 0.0283 | -1 | 5 | 0.19 | 1.62 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C21H34O4S | H | 381.210513 | 15194894 | 15194894.00 | 381.210504 | 0.0241 | -1 | 5 | 0.19 | 1.62 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H34N2O4 | H | 377.244588 | 5167079 | 5167079.00 | 377.244581 | 0.0182 | -1 | 6 | 0.19 | 1.62 | 0.095 | 0.000 | 0.07 | CHON |
| 2015-05-05 | 2015-05-08 | C21H37NO4 | H | 366.264989 | 8694934 | 8694934.00 | 366.264982 | 0.0185 | -1 | 4 | 0.19 | 1.76 | 0.048 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C21H35NO4S | H | 396.221405 | 7668922 | 7668922.00 | 396.221403 | 0.0054 | -1 | 5 | 0.19 | 1.67 | 0.048 | 0.048 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H36O4S | H | 383.226154 | 17439878 | 21401002.74 | 383.226154 | 0.0003 | -1 | 4 | 0.19 | 1.71 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H29NO4 | H | 358.202378 | 9847025 | 9847025.00 | 358.202382 | -0.0111 | -1 | 8 | 0.19 | 1.38 | 0.048 | 0.000 | 0.22 | CHON |
| 2015-05-05 | 2015-05-08 | C21H33NO4S | H | 394.205748 | 5321605 | 5321605.00 | 394.205753 | -0.0122 | -1 | 6 | 0.19 | 1.57 | 0.048 | 0.048 | 0.03 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H32O4S | H | 379.194842 | 8198528 | 8198528.00 | 379.194854 | -0.0310 | -1 | 6 | 0.19 | 1.52 | 0.000 | 0.048 | 0.06 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H30O4 | H | 345.207120 | 11970068 | 11970068.00 | 345.207133 | -0.0377 | -1 | 7 | 0.19 | 1.43 | 0.000 | 0.000 | 0.18 | CHO |
| 2015-05-05 | 2015-05-08 | C21H33NO4 | H | 362.233664 | 8628014 | 8628014.00 | 362.233682 | -0.0500 | -1 | 6 | 0.19 | 1.57 | 0.048 | 0.000 | 0.09 | CHON |
| 2015-05-05 | 2015-05-08 | C21H42O4S | H | 389.273075 | 6803589 | 6803589.00 | 389.273104 | -0.0747 | -1 | 1 | 0.19 | 2.00 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H35NO4 | H | 364.249288 | 7682555 | 7682555.00 | 364.249332 | -0.1212 | -1 | 5 | 0.19 | 1.67 | 0.048 | 0.000 | 0.03 | CHON |
| 2015-05-05 | 2015-05-08 | C26H41NO5 | H | 446.291279 | 5030202 | 5030202.00 | 446.291197 | 0.1838 | -1 | 7 | 0.19 | 1.58 | 0.038 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C26H48O5 | H | 439.342954 | 7371208 | 7371208.00 | 439.342898 | 0.1270 | -1 | 3 | 0.19 | 1.85 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C26H49NO5 | H | 454.353718 | 5040590 | 5040590.00 | 454.353797 | -0.1744 | -1 | 3 | 0.19 | 1.88 | 0.038 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C25H39NO5 | H | 432.275592 | 5276247 | 5276247.00 | 432.275547 | 0.1043 | -1 | 7 | 0.20 | 1.56 | 0.040 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C15H20N2O3 | H | 275.140154 | 4846784 | 4846784.00 | 275.140116 | 0.1379 | -1 | 7 | 0.20 | 1.33 | 0.133 | 0.000 | 0.30 | CHON |
| 2015-05-05 | 2015-05-08 | C20H28N2O4 | H | 359.197649 | 5206673 | 5206673.00 | 359.197631 | 0.0503 | -1 | 8 | 0.20 | 1.40 | 0.100 | 0.000 | 0.21 | CHON |
| 2015-05-05 | 2015-05-08 | C20H33NO4 | H | 350.233697 | 7958977 | 7958977.00 | 350.233682 | 0.0425 | -1 | 5 | 0.20 | 1.65 | 0.050 | 0.000 | 0.03 | CHON |
| 2015-05-05 | 2015-05-08 | C25H44O5 | H | 423.311612 | 6093155 | 6093155.00 | 423.311598 | 0.0329 | -1 | 4 | 0.20 | 1.76 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H16O3S | H | 275.074751 | 5219516 | 5219516.00 | 275.074739 | 0.0450 | -1 | 8 | 0.20 | 1.07 | 0.000 | 0.067 | 0.36 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H31NO3 | H | 272.223128 | 9636856 | 9636856.00 | 272.223117 | 0.0389 | -1 | 1 | 0.20 | 2.07 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H20O3S | H | 279.106047 | 6616529 | 6616529.00 | 279.106039 | 0.0296 | -1 | 6 | 0.20 | 1.33 | 0.000 | 0.067 | 0.18 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H21NO3 | H | 262.144875 | 8337233 | 8337233.00 | 262.144867 | 0.0302 | -1 | 6 | 0.20 | 1.40 | 0.067 | 0.000 | 0.23 | CHON |
| 2015-05-05 | 2015-05-08 | C15H26O3 | H | 253.180924 | 19090764 | 19090764.00 | 253.180918 | 0.0227 | -1 | 3 | 0.20 | 1.73 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C25H42O5 | H | 421.295953 | 4663163 | 4663163.00 | 421.295948 | 0.0119 | -1 | 5 | 0.20 | 1.68 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H40O4S | H | 375.257459 | 10958378 | 10958378.00 | 375.257454 | 0.0133 | -1 | 1 | 0.20 | 2.00 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H35NO4 | H | 352.249337 | 9000444 | 9000444.00 | 352.249332 | 0.0137 | -1 | 4 | 0.20 | 1.75 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H29NO4S | H | 378.174457 | 5662893 | 5662893.00 | 378.174453 | 0.0115 | -1 | 7 | 0.20 | 1.45 | 0.050 | 0.050 | 0.11 | CHONS |
| 2015-05-05 | 2015-05-08 | C10H14N2O2 | H | 193.098255 | 4468481 | 4468481.00 | 193.098251 | 0.0194 | -1 | 5 | 0.20 | 1.40 | 0.200 | 0.000 | 0.33 | CHON |
| 2015-05-05 | 2015-05-08 | C20H31NO4S | H | 380.190105 | 13179463 | 13179463.00 | 380.190103 | 0.0060 | -1 | 6 | 0.20 | 1.55 | 0.050 | 0.050 | 0.04 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H35NO4S | H | 384.221405 | 21208376 | 21208376.00 | 384.221403 | 0.0056 | -1 | 4 | 0.20 | 1.75 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H28O4 | H | 331.191485 | 11419598 | 13889823.46 | 331.191483 | 0.0062 | -1 | 7 | 0.20 | 1.40 | 0.000 | 0.000 | 0.19 | CHO |
| 2015-05-05 | 2015-05-08 | C15H20O3 | H | 247.133970 | 10752359 | 10752359.00 | 247.133968 | 0.0079 | -1 | 6 | 0.20 | 1.33 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C20H30O4S | H | 365.179205 | 17746740 | 17746740.00 | 365.179204 | 0.0036 | -1 | 6 | 0.20 | 1.50 | 0.000 | 0.050 | 0.07 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H18O3 | H | 245.118319 | 5100614 | 5100614.00 | 245.118318 | 0.0041 | -1 | 7 | 0.20 | 1.20 | 0.000 | 0.000 | 0.33 | CHO |
| 2015-05-05 | 2015-05-08 | C10H14O2 | H | 165.092102 | 3709781 | 3709781.00 | 165.092103 | -0.0075 | -1 | 4 | 0.20 | 1.40 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C20H27NO4 | H | 344.186730 | 12256137 | 12256137.00 | 344.186732 | -0.0055 | -1 | 8 | 0.20 | 1.35 | 0.050 | 0.000 | 0.23 | CHON |
| 2015-05-05 | 2015-05-08 | C15H25NO3 | H | 266.176165 | 24943036 | 28989692.62 | 266.176167 | -0.0083 | -1 | 4 | 0.20 | 1.67 | 0.067 | 0.000 | 0.05 | CHON |
| 2015-05-05 | 2015-05-08 | C20H26O4 | H | 329.175830 | 12089843 | 12089843.00 | 329.175833 | -0.0087 | -1 | 8 | 0.20 | 1.30 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C20H36O4S | H | 371.226150 | 11350591 | 11350591.00 | 371.226154 | -0.0105 | -1 | 3 | 0.20 | 1.80 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C25H46O5 | H | 425.327244 | 9100118 | 9100118.00 | 425.327248 | -0.0097 | -1 | 3 | 0.20 | 1.84 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H21NO3S | H | 294.116933 | 4814693 | 4814693.00 | 294.116938 | -0.0163 | -1 | 6 | 0.20 | 1.40 | 0.067 | 0.067 | 0.15 | CHONS |
| 2015-05-05 | 2015-05-08 | C15H23NO3S | H | 296.132583 | 6814203 | 6814203.00 | 296.132588 | -0.0164 | -1 | 5 | 0.20 | 1.53 | 0.067 | 0.067 | 0.05 | CHONS |
| 2015-05-05 | 2015-05-08 | C10H16O2 | H | 167.107748 | 5775062 | 5775062.00 | 167.107753 | -0.0317 | -1 | 3 | 0.20 | 1.60 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C15H24N2O3 | H | 279.171410 | 5574102 | 5574102.00 | 279.171416 | -0.0222 | -1 | 5 | 0.20 | 1.60 | 0.133 | 0.000 | 0.10 | CHON |
| 2015-05-05 | 2015-05-08 | C20H33NO4S | H | 382.205745 | 30235594 | 36366412.00 | 382.205753 | -0.0204 | -1 | 5 | 0.20 | 1.65 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C10H16N2O2 | H | 195.113892 | 4038253 | 4038253.00 | 195.113901 | -0.0477 | -1 | 4 | 0.20 | 1.60 | 0.200 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C20H29NO4 | H | 346.202364 | 13355137 | 13355137.00 | 346.202382 | -0.0519 | -1 | 7 | 0.20 | 1.45 | 0.050 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C20H37NO4S | H | 386.237033 | 5283475 | 5283475.00 | 386.237053 | -0.0516 | -1 | 3 | 0.20 | 1.85 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H31NO4 | H | 348.218011 | 10792257 | 10792257.00 | 348.218032 | -0.0604 | -1 | 6 | 0.20 | 1.55 | 0.050 | 0.000 | 0.10 | CHON |
| 2015-05-05 | 2015-05-08 | C25H48O5 | H | 427.342877 | 7667027 | 7667027.00 | 427.342898 | -0.0496 | -1 | 2 | 0.20 | 1.92 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H24O4 | H | 327.160143 | 5190677 | 5190677.00 | 327.160183 | -0.1217 | -1 | 9 | 0.20 | 1.20 | 0.000 | 0.000 | 0.31 | CHO |
| 2015-05-05 | 2015-05-08 | C24H40O5 | H | 407.280368 | 4717520 | 4717520.00 | 407.280298 | 0.1720 | -1 | 5 | 0.21 | 1.67 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C24H32O5 | H | 399.217735 | 7857801 | 7857801.00 | 399.217698 | 0.0935 | -1 | 9 | 0.21 | 1.33 | 0.000 | 0.000 | 0.21 | CHO |
| 2015-05-05 | 2015-05-08 | C24H39NO5 | H | 420.275584 | 4699785 | 4699785.00 | 420.275547 | 0.0882 | -1 | 6 | 0.21 | 1.63 | 0.042 | 0.000 | 0.03 | CHON |
| 2015-05-05 | 2015-05-08 | C24H46O5 | H | 413.327283 | 6549623 | 6549623.00 | 413.327248 | 0.0844 | -1 | 2 | 0.21 | 1.92 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C24H43NO5 | H | 424.306881 | 5036632 | 5036632.00 | 424.306847 | 0.0800 | -1 | 4 | 0.21 | 1.79 | 0.042 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C24H38O5 | H | 405.264664 | 7023209 | 7023209.00 | 405.264648 | 0.0398 | -1 | 6 | 0.21 | 1.58 | 0.000 | 0.000 | 0.05 | CHO |
| 2015-05-05 | 2015-05-08 | C24H42O5 | H | 409.295963 | 6217035 | 6217035.00 | 409.295948 | 0.0366 | -1 | 4 | 0.21 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C24H44O5 | H | 411.311612 | 11136728 | 11136728.00 | 411.311598 | 0.0339 | -1 | 3 | 0.21 | 1.83 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C24H45NO5 | H | 426.322501 | 5958736 | 5958736.00 | 426.322497 | 0.0091 | -1 | 3 | 0.21 | 1.88 | 0.042 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C24H33NO5 | H | 414.228589 | 6476087 | 6476087.00 | 414.228597 | -0.0186 | -1 | 9 | 0.21 | 1.38 | 0.042 | 0.000 | 0.19 | CHON |
| 2015-05-05 | 2015-05-08 | C24H31NO5 | H | 412.212931 | 6586256 | 6586256.00 | 412.212947 | -0.0380 | -1 | 10 | 0.21 | 1.29 | 0.042 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C24H30N2O5 | H | 425.208140 | 4655928 | 4655928.00 | 425.208196 | -0.1308 | -1 | 11 | 0.21 | 1.25 | 0.083 | 0.000 | 0.29 | CHON |
| 2015-05-05 | 2015-05-08 | C19H25NO4 | H | 330.171113 | 10001624 | 10001624.00 | 330.171082 | 0.0944 | -1 | 8 | 0.21 | 1.32 | 0.053 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C19H35NO4S | H | 372.221429 | 6841156 | 6841156.00 | 372.221403 | 0.0702 | -1 | 3 | 0.21 | 1.84 | 0.053 | 0.053 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H34N2O4 | H | 353.244593 | 4966393 | 4966393.00 | 353.244581 | 0.0336 | -1 | 4 | 0.21 | 1.79 | 0.105 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H28O4 | H | 319.191494 | 23420216 | 28233043.30 | 319.191483 | 0.0347 | -1 | 6 | 0.21 | 1.47 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C19H30O4 | H | 321.207142 | 25256680 | 30446898.53 | 321.207133 | 0.0280 | -1 | 5 | 0.21 | 1.58 | 0.000 | 0.000 | 0.07 | CHO |
| 2015-05-05 | 2015-05-08 | C19H31NO4 | H | 336.218035 | 10833454 | 10833454.00 | 336.218032 | 0.0088 | -1 | 5 | 0.21 | 1.63 | 0.053 | 0.000 | 0.04 | CHON |
| 2015-05-05 | 2015-05-08 | C19H30N2O4 | H | 349.213280 | 5746562 | 5746562.00 | 349.213281 | -0.0029 | -1 | 6 | 0.21 | 1.58 | 0.105 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C19H24O4 | H | 315.160177 | 11948595 | 11948595.00 | 315.160183 | -0.0184 | -1 | 8 | 0.21 | 1.26 | 0.000 | 0.000 | 0.27 | CHO |
| 2015-05-05 | 2015-05-08 | C19H33NO4 | H | 338.233673 | 10073034 | 10073034.00 | 338.233682 | -0.0269 | -1 | 4 | 0.21 | 1.74 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H27NO4S | H | 364.158792 | 5851612 | 5851612.00 | 364.158803 | -0.0291 | -1 | 7 | 0.21 | 1.42 | 0.053 | 0.053 | 0.12 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H29NO4S | H | 366.174439 | 18238586 | 18238586.00 | 366.174453 | -0.0373 | -1 | 6 | 0.21 | 1.53 | 0.053 | 0.053 | 0.04 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H27NO4 | H | 332.186716 | 16614063 | 16614063.00 | 332.186732 | -0.0479 | -1 | 7 | 0.21 | 1.42 | 0.053 | 0.000 | 0.18 | CHON |
| 2015-05-05 | 2015-05-08 | C19H23NO4 | H | 328.155414 | 5754619 | 5754619.00 | 328.155432 | -0.0542 | -1 | 9 | 0.21 | 1.21 | 0.053 | 0.000 | 0.32 | CHON |
| 2015-05-05 | 2015-05-08 | C19H28N2O4 | H | 347.197612 | 7113441 | 7113441.00 | 347.197631 | -0.0546 | -1 | 7 | 0.21 | 1.47 | 0.105 | 0.000 | 0.15 | CHON |
| 2015-05-05 | 2015-05-08 | C19H28O4S | H | 351.163533 | 39531452 | 47655119.67 | 351.163554 | -0.0587 | -1 | 6 | 0.21 | 1.47 | 0.000 | 0.053 | 0.07 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H33NO4S | H | 370.205732 | 37802280 | 45570604.83 | 370.205753 | -0.0562 | -1 | 4 | 0.21 | 1.74 | 0.053 | 0.053 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H22O4 | H | 313.144509 | 5618922 | 5618922.00 | 313.144533 | -0.0758 | -1 | 9 | 0.21 | 1.16 | 0.000 | 0.000 | 0.33 | CHO |
| 2015-05-05 | 2015-05-08 | C19H29NO4 | H | 334.202356 | 13994104 | 13994104.00 | 334.202382 | -0.0777 | -1 | 6 | 0.21 | 1.53 | 0.053 | 0.000 | 0.11 | CHON |
| 2015-05-05 | 2015-05-08 | C19H26O4 | H | 317.175799 | 15923109 | 15923109.00 | 317.175833 | -0.1068 | -1 | 7 | 0.21 | 1.37 | 0.000 | 0.000 | 0.20 | CHO |
| 2015-05-05 | 2015-05-08 | C19H26O4S | H | 349.147848 | 6250333 | 6250333.00 | 349.147904 | -0.1591 | -1 | 7 | 0.21 | 1.37 | 0.000 | 0.053 | 0.14 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H22O3S | H | 269.121705 | 26712826 | 26712826.00 | 269.121689 | 0.0602 | -1 | 4 | 0.21 | 1.57 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H16O3S | H | 263.074751 | 5105655 | 5105655.00 | 263.074739 | 0.0471 | -1 | 7 | 0.21 | 1.14 | 0.000 | 0.071 | 0.30 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H24N2O3 | H | 267.171428 | 4409906 | 4409906.00 | 267.171416 | 0.0442 | -1 | 4 | 0.21 | 1.71 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H14O3S | H | 261.059095 | 4750971 | 4750971.00 | 261.059089 | 0.0247 | -1 | 8 | 0.21 | 1.00 | 0.000 | 0.071 | 0.40 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H20N2O3 | H | 263.140122 | 5337090 | 5337090.00 | 263.140116 | 0.0225 | -1 | 6 | 0.21 | 1.43 | 0.143 | 0.000 | 0.22 | CHON |
| 2015-05-05 | 2015-05-08 | C14H18O3S | H | 265.090394 | 5837101 | 5837101.00 | 265.090389 | 0.0201 | -1 | 6 | 0.21 | 1.29 | 0.000 | 0.071 | 0.20 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H23NO3 | H | 252.160521 | 16792482 | 16792482.00 | 252.160517 | 0.0152 | -1 | 4 | 0.21 | 1.64 | 0.071 | 0.000 | 0.05 | CHON |
| 2015-05-05 | 2015-05-08 | C14H18O3 | H | 233.118321 | 4972272 | 4972272.00 | 233.118318 | 0.0129 | -1 | 6 | 0.21 | 1.29 | 0.000 | 0.000 | 0.27 | CHO |
| 2015-05-05 | 2015-05-08 | C14H20O3S | H | 267.106036 | 28662314 | 33002367.33 | 267.106039 | -0.0103 | -1 | 5 | 0.21 | 1.43 | 0.000 | 0.071 | 0.10 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H19NO3S | H | 280.101281 | 4398622 | 4398622.00 | 280.101288 | -0.0240 | -1 | 6 | 0.21 | 1.36 | 0.071 | 0.071 | 0.17 | CHONS |
| 2015-05-05 | 2015-05-08 | C14H20O3 | H | 235.133954 | 10053734 | 10053734.00 | 235.133968 | -0.0598 | -1 | 5 | 0.21 | 1.43 | 0.000 | 0.000 | 0.18 | CHO |
| 2015-05-05 | 2015-05-08 | C14H21NO3S | H | 282.116918 | 5273295 | 5273295.00 | 282.116938 | -0.0701 | -1 | 5 | 0.21 | 1.50 | 0.071 | 0.071 | 0.06 | CHONS |
| 2015-05-05 | 2015-05-08 | C14H19NO3 | H | 248.129195 | 4471734 | 4471734.00 | 248.129217 | -0.0888 | -1 | 6 | 0.21 | 1.36 | 0.071 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C14H7N5O3S | H | 324.019611 | 4635384 | 4635384.00 | 324.019683 | -0.2233 | -1 | 14 | 0.21 | 0.50 | 0.357 | 0.071 | 1.50 | CHONS |
| 2015-05-05 | 2015-05-08 | C23H36O5 | H | 391.249052 | 6406589 | 6406589.00 | 391.248998 | 0.1385 | -1 | 6 | 0.22 | 1.57 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C23H32O5 | H | 387.217715 | 7577399 | 7577399.00 | 387.217698 | 0.0447 | -1 | 8 | 0.22 | 1.39 | 0.000 | 0.000 | 0.17 | CHO |
| 2015-05-05 | 2015-05-08 | C23H31NO5 | H | 400.212963 | 20604710 | 25616108.00 | 400.212947 | 0.0408 | -1 | 9 | 0.22 | 1.35 | 0.043 | 0.000 | 0.21 | CHON |
| 2015-05-05 | 2015-05-08 | C23H37NO5 | H | 406.259904 | 5516056 | 5516056.00 | 406.259897 | 0.0176 | -1 | 6 | 0.22 | 1.61 | 0.043 | 0.000 | 0.03 | CHON |
| 2015-05-05 | 2015-05-08 | C23H41NO5 | H | 410.291199 | 5484045 | 5484045.00 | 410.291197 | 0.0049 | -1 | 4 | 0.22 | 1.78 | 0.043 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C23H40O5 | H | 395.280298 | 5788713 | 5788713.00 | 395.280298 | 0.0001 | -1 | 4 | 0.22 | 1.74 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H42O5 | H | 397.295948 | 12633438 | 12633438.00 | 397.295948 | 0.0000 | -1 | 3 | 0.22 | 1.83 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H44O5 | H | 399.311597 | 9217687 | 9217687.00 | 399.311598 | -0.0027 | -1 | 2 | 0.22 | 1.91 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H35NO5 | H | 404.244233 | 4856249 | 4856249.00 | 404.244247 | -0.0341 | -1 | 7 | 0.22 | 1.52 | 0.043 | 0.000 | 0.09 | CHON |
| 2015-05-05 | 2015-05-08 | C23H34O5 | H | 389.233320 | 7626878 | 7626878.00 | 389.233348 | -0.0713 | -1 | 7 | 0.22 | 1.48 | 0.000 | 0.000 | 0.11 | CHO |
| 2015-05-05 | 2015-05-08 | C23H38O5 | H | 393.264613 | 5319412 | 5319412.00 | 393.264648 | -0.0887 | -1 | 5 | 0.22 | 1.65 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C27H46O6 | H | 465.322194 | 5035239 | 5035239.00 | 465.322163 | 0.0671 | -1 | 5 | 0.22 | 1.70 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H26N2O4 | H | 333.182003 | 6133132 | 6133132.00 | 333.181981 | 0.0664 | -1 | 7 | 0.22 | 1.44 | 0.111 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C18H25NO4 | H | 318.171091 | 11827810 | 11827810.00 | 318.171082 | 0.0288 | -1 | 7 | 0.22 | 1.39 | 0.056 | 0.000 | 0.19 | CHON |
| 2015-05-05 | 2015-05-08 | C18H30N2O4 | H | 337.213289 | 8270071 | 8270071.00 | 337.213281 | 0.0237 | -1 | 5 | 0.22 | 1.67 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H26O4S | H | 337.147911 | 32182472 | 38200408.00 | 337.147904 | 0.0221 | -1 | 6 | 0.22 | 1.44 | 0.000 | 0.056 | 0.08 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H20O4 | H | 299.128888 | 4648586 | 4648586.00 | 299.128883 | 0.0178 | -1 | 9 | 0.22 | 1.11 | 0.000 | 0.000 | 0.36 | CHO |
| 2015-05-05 | 2015-05-08 | C18H27NO4 | H | 320.186735 | 15065091 | 15065091.00 | 320.186732 | 0.0097 | -1 | 6 | 0.22 | 1.50 | 0.056 | 0.000 | 0.12 | CHON |
| 2015-05-05 | 2015-05-08 | C9H19NO2 | H | 172.134302 | 23041256 | 23041256.00 | 172.134302 | -0.0024 | -1 | 1 | 0.22 | 2.11 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H32N2O4 | H | 339.228925 | 7988868 | 7988868.00 | 339.228931 | -0.0179 | -1 | 4 | 0.22 | 1.78 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H28N2O4 | H | 335.197623 | 6237005 | 6237005.00 | 335.197631 | -0.0237 | -1 | 6 | 0.22 | 1.56 | 0.111 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C18H31NO4S | H | 356.190093 | 33602940 | 40144865.03 | 356.190103 | -0.0273 | -1 | 4 | 0.22 | 1.72 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H32O4S | H | 343.194843 | 33956100 | 40566779.32 | 343.194854 | -0.0313 | -1 | 3 | 0.22 | 1.78 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H23NO4 | H | 316.155418 | 9225438 | 9225438.00 | 316.155432 | -0.0436 | -1 | 8 | 0.22 | 1.28 | 0.056 | 0.000 | 0.27 | CHON |
| 2015-05-05 | 2015-05-08 | C18H22O4 | H | 301.144518 | 11178508 | 11178508.00 | 301.144533 | -0.0490 | -1 | 8 | 0.22 | 1.22 | 0.000 | 0.000 | 0.29 | CHO |
| 2015-05-05 | 2015-05-08 | C18H27NO4S | H | 352.158787 | 12899789 | 12899789.00 | 352.158803 | -0.0443 | -1 | 6 | 0.22 | 1.50 | 0.056 | 0.056 | 0.04 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H29NO4S | H | 354.174437 | 34585028 | 41318148.98 | 354.174453 | -0.0442 | -1 | 5 | 0.22 | 1.61 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H33NO4S | H | 358.205734 | 8077554 | 8077554.00 | 358.205753 | -0.0525 | -1 | 3 | 0.22 | 1.83 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H36O4S | H | 347.226131 | 6236914 | 6236914.00 | 347.226154 | -0.0659 | -1 | 1 | 0.22 | 2.00 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H24O4 | H | 303.160158 | 14808547 | 14808547.00 | 303.160183 | -0.0818 | -1 | 7 | 0.22 | 1.33 | 0.000 | 0.000 | 0.21 | CHO |
| 2015-05-05 | 2015-05-08 | C18H29NO4 | H | 322.202353 | 9758142 | 9758142.00 | 322.202382 | -0.0899 | -1 | 5 | 0.22 | 1.61 | 0.056 | 0.000 | 0.04 | CHON |
| 2015-05-05 | 2015-05-08 | C18H34N2O4 | H | 341.244550 | 5082094 | 5082094.00 | 341.244581 | -0.0912 | -1 | 3 | 0.22 | 1.89 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C22H36N2O5 | H | 407.255183 | 4893643 | 4893643.00 | 407.255146 | 0.0913 | -1 | 6 | 0.23 | 1.64 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C22H38O5S | H | 413.236750 | 6484068 | 6484068.00 | 413.236719 | 0.0761 | -1 | 4 | 0.23 | 1.73 | 0.000 | 0.045 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C22H45NO5S | H | 434.294594 | 5366897 | 5366897.00 | 434.294568 | 0.0603 | -1 | 1 | 0.23 | 2.05 | 0.045 | 0.045 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C22H39NO5 | H | 396.275572 | 7627970 | 7627970.00 | 396.275547 | 0.0633 | -1 | 4 | 0.23 | 1.77 | 0.045 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C22H36O5 | H | 379.249021 | 10271115 | 10271115.00 | 379.248998 | 0.0611 | -1 | 5 | 0.23 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H31NO5 | H | 388.212969 | 5062618 | 5062618.00 | 388.212947 | 0.0575 | -1 | 8 | 0.23 | 1.41 | 0.045 | 0.000 | 0.16 | CHON |
| 2015-05-05 | 2015-05-08 | C22H43NO5S | H | 432.278938 | 24478296 | 30349431.40 | 432.278918 | 0.0469 | -1 | 2 | 0.23 | 1.95 | 0.045 | 0.045 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C22H34O5 | H | 377.233359 | 9934820 | 9934820.00 | 377.233348 | 0.0298 | -1 | 6 | 0.23 | 1.55 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C22H36O5S | H | 411.221073 | 6950598 | 6950598.00 | 411.221069 | 0.0109 | -1 | 5 | 0.23 | 1.64 | 0.000 | 0.045 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C22H32O5 | H | 375.217695 | 8447520 | 8447520.00 | 375.217698 | -0.0072 | -1 | 7 | 0.23 | 1.45 | 0.000 | 0.000 | 0.12 | CHO |
| 2015-05-05 | 2015-05-08 | C22H37NO5 | H | 394.259891 | 5526413 | 5526413.00 | 394.259897 | -0.0148 | -1 | 5 | 0.23 | 1.68 | 0.045 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C22H35NO5 | H | 392.244235 | 5608023 | 5608023.00 | 392.244247 | -0.0301 | -1 | 6 | 0.23 | 1.59 | 0.045 | 0.000 | 0.03 | CHON |
| 2015-05-05 | 2015-05-08 | C22H38O5 | H | 381.264635 | 10025752 | 10025752.00 | 381.264648 | -0.0338 | -1 | 4 | 0.23 | 1.73 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H30O5 | H | 373.202014 | 7222332 | 7222332.00 | 373.202048 | -0.0901 | -1 | 8 | 0.23 | 1.36 | 0.000 | 0.000 | 0.18 | CHO |
| 2015-05-05 | 2015-05-08 | C22H33NO5 | H | 390.228563 | 6308124 | 6308124.00 | 390.228597 | -0.0864 | -1 | 7 | 0.23 | 1.50 | 0.045 | 0.000 | 0.09 | CHON |
| 2015-05-05 | 2015-05-08 | C22H29NO5 | H | 386.197262 | 5193356 | 5193356.00 | 386.197297 | -0.0896 | -1 | 9 | 0.23 | 1.32 | 0.045 | 0.000 | 0.22 | CHON |
| 2015-05-05 | 2015-05-08 | C26H44O6 | H | 451.306600 | 5195414 | 5195414.00 | 451.306513 | 0.1935 | -1 | 5 | 0.23 | 1.69 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H20O3S | H | 255.106043 | 15786016 | 15786016.00 | 255.106039 | 0.0167 | -1 | 4 | 0.23 | 1.54 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H18O3 | H | 221.118320 | 7916452 | 7916452.00 | 221.118318 | 0.0091 | -1 | 5 | 0.23 | 1.38 | 0.000 | 0.000 | 0.20 | CHO |
| 2015-05-05 | 2015-05-08 | C13H19NO3 | H | 236.129219 | 5484752 | 5484752.00 | 236.129217 | 0.0083 | -1 | 5 | 0.23 | 1.46 | 0.077 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C13H26N2O3S2 | H | 321.131209 | 7328432 | 7328432.00 | 321.131208 | 0.0042 | -1 | 2 | 0.23 | 2.00 | 0.154 | 0.154 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C13H14O3S | H | 249.059087 | 6499772 | 6499772.00 | 249.059089 | -0.0062 | -1 | 7 | 0.23 | 1.08 | 0.000 | 0.077 | 0.33 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H18N2O3 | H | 249.124460 | 4830687 | 4830687.00 | 249.124466 | -0.0241 | -1 | 6 | 0.23 | 1.38 | 0.154 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C26H42O6 | H | 449.290852 | 4764785 | 4764785.00 | 449.290863 | -0.0237 | -1 | 6 | 0.23 | 1.62 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H23NO3 | H | 240.160506 | 9776326 | 9776326.00 | 240.160517 | -0.0465 | -1 | 3 | 0.23 | 1.77 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H18O3S | H | 253.090372 | 15015208 | 15015208.00 | 253.090389 | -0.0659 | -1 | 5 | 0.23 | 1.38 | 0.000 | 0.077 | 0.11 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H21NO3 | H | 238.144850 | 8688944 | 8688944.00 | 238.144867 | -0.0718 | -1 | 4 | 0.23 | 1.62 | 0.077 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C17H31NO4S | H | 344.190125 | 5333899 | 5333899.00 | 344.190103 | 0.0647 | -1 | 3 | 0.24 | 1.82 | 0.059 | 0.059 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C17H23NO4 | H | 304.155453 | 6928358 | 6928358.00 | 304.155432 | 0.0698 | -1 | 7 | 0.24 | 1.35 | 0.059 | 0.000 | 0.21 | CHON |
| 2015-05-05 | 2015-05-08 | C17H20O4 | H | 287.128900 | 7835967 | 7835967.00 | 287.128883 | 0.0603 | -1 | 8 | 0.24 | 1.18 | 0.000 | 0.000 | 0.31 | CHO |
| 2015-05-05 | 2015-05-08 | C17H29NO4S | H | 342.174466 | 21192288 | 21192288.00 | 342.174453 | 0.0390 | -1 | 4 | 0.24 | 1.71 | 0.059 | 0.059 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C17H24O4S | H | 323.132265 | 18245736 | 18245736.00 | 323.132253 | 0.0356 | -1 | 6 | 0.24 | 1.41 | 0.000 | 0.059 | 0.08 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H21NO4 | H | 302.139787 | 4819944 | 4819944.00 | 302.139782 | 0.0175 | -1 | 8 | 0.24 | 1.24 | 0.059 | 0.000 | 0.29 | CHON |
| 2015-05-05 | 2015-05-08 | C17H25NO4S | H | 338.143157 | 8168331 | 8168331.00 | 338.143153 | 0.0132 | -1 | 6 | 0.24 | 1.47 | 0.059 | 0.059 | 0.05 | CHONS |
| 2015-05-05 | 2015-05-08 | C17H27NO4S | H | 340.158807 | 15964424 | 15964424.00 | 340.158803 | 0.0129 | -1 | 5 | 0.24 | 1.59 | 0.059 | 0.059 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C17H30N2O4 | H | 325.213284 | 5881452 | 5881452.00 | 325.213281 | 0.0092 | -1 | 4 | 0.24 | 1.76 | 0.118 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H22O4 | H | 289.144533 | 11477664 | 11477664.00 | 289.144533 | 0.0009 | -1 | 7 | 0.24 | 1.29 | 0.000 | 0.000 | 0.23 | CHO |
| 2015-05-05 | 2015-05-08 | C17H24N2O4 | H | 319.166326 | 4566310 | 4566310.00 | 319.166331 | -0.0151 | -1 | 7 | 0.24 | 1.41 | 0.118 | 0.000 | 0.18 | CHON |
| 2015-05-05 | 2015-05-08 | C17H26O4 | H | 293.175819 | 498509408 | 576894606.00 | 293.175833 | -0.0473 | -1 | 5 | 0.24 | 1.53 | 0.000 | 0.000 | 0.08 | CHO |
| 2015-05-05 | 2015-05-08 | C17H26N2O4 | H | 321.181957 | 6406869 | 6406869.00 | 321.181981 | -0.0744 | -1 | 6 | 0.24 | 1.53 | 0.118 | 0.000 | 0.09 | CHON |
| 2015-05-05 | 2015-05-08 | C17H30O4S | H | 329.179174 | 14227958 | 14227958.00 | 329.179204 | -0.0902 | -1 | 3 | 0.24 | 1.76 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H37NO5S | H | 414.232011 | 8687927 | 8687927.00 | 414.231968 | 0.1049 | -1 | 4 | 0.24 | 1.76 | 0.048 | 0.048 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H29NO5 | H | 374.197332 | 5383472 | 5383472.00 | 374.197297 | 0.0946 | -1 | 8 | 0.24 | 1.38 | 0.048 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C21H35NO5S | H | 412.216352 | 7098256 | 7098256.00 | 412.216317 | 0.0837 | -1 | 5 | 0.24 | 1.67 | 0.048 | 0.048 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H37NO5 | H | 382.259927 | 5737428 | 5737428.00 | 382.259897 | 0.0789 | -1 | 4 | 0.24 | 1.76 | 0.048 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C21H27NO5 | H | 372.181673 | 5460794 | 5460794.00 | 372.181647 | 0.0711 | -1 | 9 | 0.24 | 1.29 | 0.048 | 0.000 | 0.23 | CHON |
| 2015-05-05 | 2015-05-08 | C21H28O5 | H | 359.186417 | 7324300 | 7324300.00 | 359.186398 | 0.0541 | -1 | 8 | 0.24 | 1.33 | 0.000 | 0.000 | 0.19 | CHO |
| 2015-05-05 | 2015-05-08 | C21H34O5S | H | 397.205437 | 23389520 | 23389520.00 | 397.205418 | 0.0467 | -1 | 5 | 0.24 | 1.62 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H33NO5S | H | 410.200681 | 6057467 | 6057467.00 | 410.200667 | 0.0331 | -1 | 6 | 0.24 | 1.57 | 0.048 | 0.048 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H32O5S | H | 395.189776 | 7947292 | 7947292.00 | 395.189768 | 0.0193 | -1 | 6 | 0.24 | 1.52 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H30O5 | H | 361.202055 | 10921387 | 10921387.00 | 361.202048 | 0.0204 | -1 | 7 | 0.24 | 1.43 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C21H34O5 | H | 365.233351 | 13912903 | 13912903.00 | 365.233348 | 0.0089 | -1 | 5 | 0.24 | 1.62 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C21H26O5 | H | 357.170747 | 4824883 | 4824883.00 | 357.170747 | -0.0014 | -1 | 9 | 0.24 | 1.24 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C21H35NO5 | H | 380.244246 | 6388306 | 6388306.00 | 380.244247 | -0.0021 | -1 | 5 | 0.24 | 1.67 | 0.048 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C21H31NO5 | H | 376.212945 | 6518532 | 6518532.00 | 376.212947 | -0.0044 | -1 | 7 | 0.24 | 1.48 | 0.048 | 0.000 | 0.10 | CHON |
| 2015-05-05 | 2015-05-08 | C21H32O5 | H | 363.217685 | 10086547 | 10086547.00 | 363.217698 | -0.0349 | -1 | 6 | 0.24 | 1.52 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C21H38O5S | H | 401.236695 | 8792009 | 8792009.00 | 401.236719 | -0.0587 | -1 | 3 | 0.24 | 1.81 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H36O5 | H | 367.248972 | 12348875 | 12348875.00 | 367.248998 | -0.0703 | -1 | 4 | 0.24 | 1.71 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C21H33NO5 | H | 378.228566 | 7846073 | 7846073.00 | 378.228597 | -0.0812 | -1 | 6 | 0.24 | 1.57 | 0.048 | 0.000 | 0.03 | CHON |
| 2015-05-05 | 2015-05-08 | C25H44O6 | H | 439.306500 | 5196222 | 5196222.00 | 439.306513 | -0.0289 | -1 | 4 | 0.24 | 1.76 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C24H36O6 | H | 419.243962 | 5301655 | 5301655.00 | 419.243912 | 0.1182 | -1 | 7 | 0.25 | 1.50 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C24H40O6 | H | 423.275262 | 5302618 | 5302618.00 | 423.275213 | 0.1168 | -1 | 5 | 0.25 | 1.67 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H31NO5 | H | 364.212975 | 10070511 | 10070511.00 | 364.212947 | 0.0778 | -1 | 6 | 0.25 | 1.55 | 0.050 | 0.000 | 0.04 | CHON |
| 2015-05-05 | 2015-05-08 | C16H20O4 | H | 275.128905 | 9694399 | 9694399.00 | 275.128883 | 0.0811 | -1 | 7 | 0.25 | 1.25 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C12H18O3 | H | 209.118334 | 10072064 | 10072064.00 | 209.118318 | 0.0766 | -1 | 4 | 0.25 | 1.50 | 0.000 | 0.000 | 0.11 | CHO |
| 2015-05-05 | 2015-05-08 | C24H32O6 | H | 415.212625 | 4977163 | 4977163.00 | 415.212612 | 0.0306 | -1 | 9 | 0.25 | 1.33 | 0.000 | 0.000 | 0.17 | CHO |
| 2015-05-05 | 2015-05-08 | C20H35NO5S | H | 400.216330 | 13141798 | 13141798.00 | 400.216317 | 0.0313 | -1 | 4 | 0.25 | 1.75 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C12H14O3 | H | 205.087030 | 3863356 | 3863356.00 | 205.087018 | 0.0592 | -1 | 6 | 0.25 | 1.17 | 0.000 | 0.000 | 0.33 | CHO |
| 2015-05-05 | 2015-05-08 | C16H18O4 | H | 273.113244 | 4478008 | 4478008.00 | 273.113233 | 0.0417 | -1 | 8 | 0.25 | 1.13 | 0.000 | 0.000 | 0.33 | CHO |
| 2015-05-05 | 2015-05-08 | C16H26N2O4 | H | 309.181992 | 5407507 | 5407507.00 | 309.181981 | 0.0360 | -1 | 5 | 0.25 | 1.63 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C24H42O6 | H | 425.290873 | 5487437 | 5487437.00 | 425.290863 | 0.0244 | -1 | 4 | 0.25 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H23NO4 | H | 292.155441 | 9528641 | 9528641.00 | 292.155432 | 0.0316 | -1 | 6 | 0.25 | 1.44 | 0.063 | 0.000 | 0.14 | CHON |
| 2015-05-05 | 2015-05-08 | C16H25NO4 | H | 294.171090 | 7657333 | 7657333.00 | 294.171082 | 0.0277 | -1 | 5 | 0.25 | 1.56 | 0.063 | 0.000 | 0.05 | CHON |
| 2015-05-05 | 2015-05-08 | C12H21NO3 | H | 226.144874 | 6588845 | 6588845.00 | 226.144867 | 0.0305 | -1 | 3 | 0.25 | 1.75 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H27NO5 | H | 360.181651 | 7373854 | 7373854.00 | 360.181647 | 0.0124 | -1 | 8 | 0.25 | 1.35 | 0.050 | 0.000 | 0.18 | CHON |
| 2015-05-05 | 2015-05-08 | C20H30N2O5 | H | 377.208200 | 5040095 | 5040095.00 | 377.208196 | 0.0116 | -1 | 7 | 0.25 | 1.50 | 0.100 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C12H18O3S | H | 241.090393 | 9650179 | 9650179.00 | 241.090389 | 0.0179 | -1 | 4 | 0.25 | 1.50 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H30O5S | H | 381.174122 | 15063815 | 15063815.00 | 381.174118 | 0.0097 | -1 | 6 | 0.25 | 1.50 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C24H38O6 | H | 421.259566 | 5879666 | 5879666.00 | 421.259563 | 0.0083 | -1 | 6 | 0.25 | 1.58 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C24H34O6 | H | 417.228265 | 7353290 | 7353290.00 | 417.228262 | 0.0063 | -1 | 8 | 0.25 | 1.42 | 0.000 | 0.000 | 0.11 | CHO |
| 2015-05-05 | 2015-05-08 | C20H32O5 | H | 351.217700 | 17920986 | 17920986.00 | 351.217698 | 0.0066 | -1 | 5 | 0.25 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H35NO5 | H | 368.244249 | 8670968 | 8670968.00 | 368.244247 | 0.0060 | -1 | 4 | 0.25 | 1.75 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H33NO5 | H | 366.228598 | 7351435 | 7351435.00 | 366.228597 | 0.0035 | -1 | 5 | 0.25 | 1.65 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H16O3 | H | 207.102669 | 4970367 | 4970367.00 | 207.102668 | 0.0052 | -1 | 5 | 0.25 | 1.33 | 0.000 | 0.000 | 0.22 | CHO |
| 2015-05-05 | 2015-05-08 | C12H17NO3 | H | 222.113568 | 5965245 | 5965245.00 | 222.113567 | 0.0047 | -1 | 5 | 0.25 | 1.42 | 0.083 | 0.000 | 0.19 | CHON |
| 2015-05-05 | 2015-05-08 | C12H19NO3 | H | 224.129218 | 4447713 | 4447713.00 | 224.129217 | 0.0043 | -1 | 4 | 0.25 | 1.58 | 0.083 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C16H22O4S | H | 309.116598 | 7459563 | 7459563.00 | 309.116603 | -0.0176 | -1 | 6 | 0.25 | 1.38 | 0.000 | 0.063 | 0.09 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H29NO5 | H | 362.197291 | 9488161 | 9488161.00 | 362.197297 | -0.0154 | -1 | 7 | 0.25 | 1.45 | 0.050 | 0.000 | 0.11 | CHON |
| 2015-05-05 | 2015-05-08 | C20H26O5 | H | 345.170738 | 10536445 | 10536445.00 | 345.170747 | -0.0275 | -1 | 8 | 0.25 | 1.30 | 0.000 | 0.000 | 0.20 | CHO |
| 2015-05-05 | 2015-05-08 | C20H28N2O5 | H | 375.192536 | 4814363 | 4814363.00 | 375.192546 | -0.0255 | -1 | 8 | 0.25 | 1.40 | 0.100 | 0.000 | 0.15 | CHON |
| 2015-05-05 | 2015-05-08 | C16H28O4S | H | 315.163540 | 5698102 | 5698102.00 | 315.163554 | -0.0432 | -1 | 3 | 0.25 | 1.75 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H16O3S | H | 239.074723 | 10422473 | 10422473.00 | 239.074739 | -0.0653 | -1 | 5 | 0.25 | 1.33 | 0.000 | 0.083 | 0.13 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H27NO4S | H | 328.158786 | 6362877 | 6362877.00 | 328.158803 | -0.0506 | -1 | 4 | 0.25 | 1.69 | 0.063 | 0.063 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H30O5 | H | 349.202031 | 18116476 | 18116476.00 | 349.202048 | -0.0476 | -1 | 6 | 0.25 | 1.50 | 0.000 | 0.000 | 0.07 | CHO |
| 2015-05-05 | 2015-05-08 | C20H33NO5S | H | 398.200650 | 15623658 | 15623658.00 | 398.200667 | -0.0437 | -1 | 5 | 0.25 | 1.65 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C24H44O6 | H | 427.306495 | 7093578 | 7093578.00 | 427.306513 | -0.0414 | -1 | 3 | 0.25 | 1.83 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H28O5 | H | 347.186378 | 18557658 | 18557658.00 | 347.186398 | -0.0563 | -1 | 7 | 0.25 | 1.40 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C20H34O5 | H | 353.233320 | 15759347 | 19168323.40 | 353.233348 | -0.0786 | -1 | 4 | 0.25 | 1.70 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H31NO5S | H | 396.184989 | 7881908 | 7881908.00 | 396.185017 | -0.0716 | -1 | 6 | 0.25 | 1.55 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C16H25NO4S | H | 326.143123 | 8663327 | 8663327.00 | 326.143153 | -0.0906 | -1 | 5 | 0.25 | 1.56 | 0.063 | 0.063 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C16H28N2O4 | H | 311.197599 | 4761595 | 4761595.00 | 311.197631 | -0.1027 | -1 | 4 | 0.25 | 1.75 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H37NO5S | H | 402.231915 | 6006890 | 6006890.00 | 402.231968 | -0.1306 | -1 | 3 | 0.25 | 1.85 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C27H42O7 | H | 477.285828 | 4763597 | 4763597.00 | 477.285777 | 0.1063 | -1 | 7 | 0.26 | 1.56 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H38O6 | H | 409.259600 | 5926212 | 5926212.00 | 409.259563 | 0.0916 | -1 | 5 | 0.26 | 1.65 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H34O6 | H | 405.228283 | 7301730 | 7301730.00 | 405.228262 | 0.0509 | -1 | 7 | 0.26 | 1.48 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C23H35NO6 | H | 420.239180 | 5445248 | 5445248.00 | 420.239161 | 0.0442 | -1 | 7 | 0.26 | 1.52 | 0.043 | 0.000 | 0.03 | CHON |
| 2015-05-05 | 2015-05-08 | C23H42N2O6 | H | 441.297021 | 4942814 | 4942814.00 | 441.297011 | 0.0235 | -1 | 4 | 0.26 | 1.83 | 0.087 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C23H41NO6 | H | 426.286120 | 5602375 | 5602375.00 | 426.286112 | 0.0197 | -1 | 4 | 0.26 | 1.78 | 0.043 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C23H36O6 | H | 407.243920 | 6515657 | 6515657.00 | 407.243912 | 0.0186 | -1 | 6 | 0.26 | 1.57 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H42O6 | H | 413.290864 | 8351856 | 8351856.00 | 413.290863 | 0.0033 | -1 | 3 | 0.26 | 1.83 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H40O6 | H | 411.275210 | 6516433 | 6516433.00 | 411.275213 | -0.0062 | -1 | 4 | 0.26 | 1.74 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H24O5 | H | 331.155112 | 9641907 | 9641907.00 | 331.155097 | 0.0440 | -1 | 8 | 0.26 | 1.26 | 0.000 | 0.000 | 0.21 | CHO |
| 2015-05-05 | 2015-05-08 | C19H24N2O5 | H | 359.161251 | 4760194 | 4760194.00 | 359.161245 | 0.0155 | -1 | 9 | 0.26 | 1.26 | 0.105 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C19H28O5S | H | 367.158470 | 17026478 | 20525399.54 | 367.158468 | 0.0048 | -1 | 6 | 0.26 | 1.47 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H30O5 | H | 337.202048 | 26972398 | 32515194.60 | 337.202048 | 0.0011 | -1 | 5 | 0.26 | 1.58 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H31NO5 | H | 352.212946 | 10647017 | 10647017.00 | 352.212947 | -0.0019 | -1 | 5 | 0.26 | 1.63 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H28N2O5 | H | 363.192544 | 6105226 | 6105226.00 | 363.192546 | -0.0043 | -1 | 7 | 0.26 | 1.47 | 0.105 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C19H29NO5S | H | 382.169362 | 6699971 | 6699971.00 | 382.169367 | -0.0138 | -1 | 6 | 0.26 | 1.53 | 0.053 | 0.053 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H31NO5S | H | 384.185010 | 13376817 | 13376817.00 | 384.185017 | -0.0191 | -1 | 5 | 0.26 | 1.63 | 0.053 | 0.053 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H36O5S | H | 375.221061 | 5367329 | 5367329.00 | 375.221069 | -0.0200 | -1 | 2 | 0.26 | 1.89 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H26O5 | H | 333.170739 | 16467332 | 16467332.00 | 333.170747 | -0.0255 | -1 | 7 | 0.26 | 1.37 | 0.000 | 0.000 | 0.14 | CHO |
| 2015-05-05 | 2015-05-08 | C19H28O5 | H | 335.186387 | 21678916 | 21678916.00 | 335.186398 | -0.0315 | -1 | 6 | 0.26 | 1.47 | 0.000 | 0.000 | 0.07 | CHO |
| 2015-05-05 | 2015-05-08 | C19H33NO5S | H | 386.200655 | 16916108 | 16916108.00 | 386.200667 | -0.0321 | -1 | 4 | 0.26 | 1.74 | 0.053 | 0.053 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H27NO5 | H | 348.181633 | 9030955 | 9030955.00 | 348.181647 | -0.0389 | -1 | 7 | 0.26 | 1.42 | 0.053 | 0.000 | 0.12 | CHON |
| 2015-05-05 | 2015-05-08 | C19H32O5 | H | 339.217676 | 24417916 | 29435769.50 | 339.217698 | -0.0639 | -1 | 4 | 0.26 | 1.68 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H29NO5 | H | 350.197270 | 11375021 | 11375021.00 | 350.197297 | -0.0759 | -1 | 6 | 0.26 | 1.53 | 0.053 | 0.000 | 0.04 | CHON |
| 2015-05-05 | 2015-05-08 | C19H25NO5 | H | 346.165968 | 8439915 | 8439915.00 | 346.165996 | -0.0822 | -1 | 8 | 0.26 | 1.32 | 0.053 | 0.000 | 0.19 | CHON |
| 2015-05-05 | 2015-05-08 | C19H35NO5S | H | 388.216286 | 7421915 | 7421915.00 | 388.216317 | -0.0811 | -1 | 3 | 0.26 | 1.84 | 0.053 | 0.053 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H33NO5 | H | 354.228564 | 9255392 | 9255392.00 | 354.228597 | -0.0924 | -1 | 4 | 0.26 | 1.74 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H22N2O4 | H | 293.150725 | 5576268 | 5576268.00 | 293.150681 | 0.1509 | -1 | 6 | 0.27 | 1.47 | 0.133 | 0.000 | 0.11 | CHON |
| 2015-05-05 | 2015-05-08 | C15H19NO4 | H | 276.124156 | 5270785 | 5270785.00 | 276.124132 | 0.0882 | -1 | 7 | 0.27 | 1.27 | 0.067 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C15H20O4 | H | 263.128905 | 8628223 | 8628223.00 | 263.128883 | 0.0848 | -1 | 6 | 0.27 | 1.33 | 0.000 | 0.000 | 0.18 | CHO |
| 2015-05-05 | 2015-05-08 | C15H23NO4 | H | 280.155448 | 10944034 | 10944034.00 | 280.155432 | 0.0579 | -1 | 5 | 0.27 | 1.53 | 0.067 | 0.000 | 0.05 | CHON |
| 2015-05-05 | 2015-05-08 | C15H22O4S | H | 297.116619 | 26635106 | 26635106.00 | 297.116603 | 0.0524 | -1 | 5 | 0.27 | 1.47 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H25NO4S | H | 314.143162 | 4509571 | 4509571.00 | 314.143153 | 0.0301 | -1 | 4 | 0.27 | 1.67 | 0.067 | 0.067 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C15H17NO4 | H | 274.108488 | 4317308 | 4317308.00 | 274.108482 | 0.0234 | -1 | 8 | 0.27 | 1.13 | 0.067 | 0.000 | 0.35 | CHON |
| 2015-05-05 | 2015-05-08 | C15H22O4 | H | 265.144535 | 18413876 | 21401268.28 | 265.144533 | 0.0085 | -1 | 5 | 0.27 | 1.47 | 0.000 | 0.000 | 0.09 | CHO |
| 2015-05-05 | 2015-05-08 | C15H21NO4 | H | 278.139775 | 10349962 | 10349962.00 | 278.139782 | -0.0241 | -1 | 6 | 0.27 | 1.40 | 0.067 | 0.000 | 0.15 | CHON |
| 2015-05-05 | 2015-05-08 | C15H26N2O4 | H | 297.181974 | 4703099 | 4703099.00 | 297.181981 | -0.0232 | -1 | 4 | 0.27 | 1.73 | 0.133 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H16O4 | H | 259.097575 | 4281534 | 4281534.00 | 259.097583 | -0.0291 | -1 | 8 | 0.27 | 1.07 | 0.000 | 0.000 | 0.36 | CHO |
| 2015-05-05 | 2015-05-08 | C15H18O4 | H | 261.113223 | 6473350 | 6473350.00 | 261.113233 | -0.0368 | -1 | 7 | 0.27 | 1.20 | 0.000 | 0.000 | 0.27 | CHO |
| 2015-05-05 | 2015-05-08 | C15H25NO4 | H | 282.171071 | 12594900 | 12594900.00 | 282.171082 | -0.0384 | -1 | 4 | 0.27 | 1.67 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H26O4 | H | 269.175810 | 35986176 | 41824426.70 | 269.175833 | -0.0850 | -1 | 3 | 0.27 | 1.73 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H20O4S | H | 295.100921 | 4833435 | 4833435.00 | 295.100953 | -0.1097 | -1 | 6 | 0.27 | 1.33 | 0.000 | 0.067 | 0.10 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H23NO4S | H | 312.127466 | 5216848 | 5216848.00 | 312.127502 | -0.1168 | -1 | 5 | 0.27 | 1.53 | 0.067 | 0.067 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C15H24N2O4 | H | 295.166293 | 5378224 | 5378224.00 | 295.166331 | -0.1281 | -1 | 5 | 0.27 | 1.60 | 0.133 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C22H39NO6 | H | 412.270500 | 5357468 | 5357468.00 | 412.270462 | 0.0933 | -1 | 4 | 0.27 | 1.77 | 0.045 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C22H45NO6S | H | 450.289518 | 17732994 | 17732994.00 | 450.289482 | 0.0790 | -1 | 1 | 0.27 | 2.05 | 0.045 | 0.045 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C22H28O6 | H | 387.181344 | 4677425 | 4677425.00 | 387.181312 | 0.0822 | -1 | 9 | 0.27 | 1.27 | 0.000 | 0.000 | 0.19 | CHO |
| 2015-05-05 | 2015-05-08 | C22H30O6 | H | 389.196989 | 5755001 | 5755001.00 | 389.196962 | 0.0687 | -1 | 8 | 0.27 | 1.36 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C22H41NO6 | H | 414.286136 | 4772163 | 4772163.00 | 414.286112 | 0.0589 | -1 | 3 | 0.27 | 1.86 | 0.045 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C22H40O6 | H | 399.275235 | 13559442 | 13559442.00 | 399.275213 | 0.0562 | -1 | 3 | 0.27 | 1.82 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H38O6S | H | 429.231649 | 9633593 | 9633593.00 | 429.231633 | 0.0368 | -1 | 4 | 0.27 | 1.73 | 0.000 | 0.045 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C22H32O6 | H | 391.212626 | 7258551 | 7258551.00 | 391.212612 | 0.0350 | -1 | 7 | 0.27 | 1.45 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C11H12N2O3 | H | 219.077527 | 3961592 | 3961592.00 | 219.077516 | 0.0511 | -1 | 7 | 0.27 | 1.09 | 0.182 | 0.000 | 0.50 | CHON |
| 2015-05-05 | 2015-05-08 | C11H16N2O3 | H | 223.108820 | 4863941 | 4863941.00 | 223.108816 | 0.0182 | -1 | 5 | 0.27 | 1.45 | 0.182 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C11H15NO3 | H | 208.097919 | 7342501 | 7342501.00 | 208.097917 | 0.0101 | -1 | 5 | 0.27 | 1.36 | 0.091 | 0.000 | 0.21 | CHON |
| 2015-05-05 | 2015-05-08 | C22H43NO6S | H | 448.273834 | 21369690 | 26179527.00 | 448.273832 | 0.0037 | -1 | 2 | 0.27 | 1.95 | 0.045 | 0.045 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C11H18O3 | H | 197.118318 | 10937968 | 10937968.00 | 197.118318 | 0.0000 | -1 | 3 | 0.27 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H38O6 | H | 397.259562 | 10962265 | 10962265.00 | 397.259563 | -0.0013 | -1 | 4 | 0.27 | 1.73 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H16O3S | H | 227.074738 | 7966461 | 7966461.00 | 227.074739 | -0.0027 | -1 | 4 | 0.27 | 1.45 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H20O3 | H | 199.133966 | 20426004 | 20426004.00 | 199.133968 | -0.0103 | -1 | 2 | 0.27 | 1.82 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H14O3S | H | 225.059086 | 8227678 | 8227678.00 | 225.059089 | -0.0113 | -1 | 5 | 0.27 | 1.27 | 0.000 | 0.091 | 0.14 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H16O3 | H | 195.102664 | 9168991 | 9168991.00 | 195.102668 | -0.0201 | -1 | 4 | 0.27 | 1.45 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C11H17NO3 | H | 210.113562 | 4873789 | 4873789.00 | 210.113567 | -0.0236 | -1 | 4 | 0.27 | 1.55 | 0.091 | 0.000 | 0.07 | CHON |
| 2015-05-05 | 2015-05-08 | C22H33NO6 | H | 406.223504 | 4729617 | 4729617.00 | 406.223511 | -0.0181 | -1 | 7 | 0.27 | 1.50 | 0.045 | 0.000 | 0.03 | CHON |
| 2015-05-05 | 2015-05-08 | C22H36O6S | H | 427.215975 | 6585651 | 6585651.00 | 427.215983 | -0.0190 | -1 | 5 | 0.27 | 1.64 | 0.000 | 0.045 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H13NO3 | H | 206.082257 | 4254529 | 4254529.00 | 206.082267 | -0.0477 | -1 | 6 | 0.27 | 1.18 | 0.091 | 0.000 | 0.36 | CHON |
| 2015-05-05 | 2015-05-08 | C22H36O6 | H | 395.243889 | 8528932 | 8528932.00 | 395.243912 | -0.0593 | -1 | 5 | 0.27 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H42O6 | H | 401.290811 | 6580178 | 6580178.00 | 401.290863 | -0.1287 | -1 | 2 | 0.27 | 1.91 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H18N2O5 | H | 341.114304 | 4938646 | 4938646.00 | 341.114295 | 0.0257 | -1 | 11 | 0.28 | 1.00 | 0.111 | 0.000 | 0.45 | CHON |
| 2015-05-05 | 2015-05-08 | C18H32O5S | H | 359.189776 | 26952334 | 26952334.00 | 359.189768 | 0.0212 | -1 | 3 | 0.28 | 1.78 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H33NO5S | H | 374.200674 | 10638640 | 10638640.00 | 374.200667 | 0.0176 | -1 | 3 | 0.28 | 1.83 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H26N2O5 | H | 349.176896 | 5205869 | 5205869.00 | 349.176896 | 0.0014 | -1 | 7 | 0.28 | 1.44 | 0.111 | 0.000 | 0.09 | CHON |
| 2015-05-05 | 2015-05-08 | C18H33NO5 | H | 342.228597 | 11460228 | 11460228.00 | 342.228597 | 0.0008 | -1 | 3 | 0.28 | 1.83 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H24O5 | H | 319.155095 | 10534174 | 10534174.00 | 319.155097 | -0.0076 | -1 | 7 | 0.28 | 1.33 | 0.000 | 0.000 | 0.15 | CHO |
| 2015-05-05 | 2015-05-08 | C18H31NO5S | H | 372.185013 | 8819515 | 8819515.00 | 372.185017 | -0.0117 | -1 | 4 | 0.28 | 1.72 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H27NO5 | H | 336.181641 | 11947540 | 11947540.00 | 336.181647 | -0.0165 | -1 | 6 | 0.28 | 1.50 | 0.056 | 0.000 | 0.04 | CHON |
| 2015-05-05 | 2015-05-08 | C18H23NO5 | H | 332.150339 | 7250580 | 7250580.00 | 332.150346 | -0.0223 | -1 | 8 | 0.28 | 1.28 | 0.056 | 0.000 | 0.21 | CHON |
| 2015-05-05 | 2015-05-08 | C18H28N2O5 | H | 351.192535 | 6218701 | 6218701.00 | 351.192546 | -0.0301 | -1 | 6 | 0.28 | 1.56 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H25NO5 | H | 334.165985 | 8677469 | 8677469.00 | 334.165996 | -0.0343 | -1 | 7 | 0.28 | 1.39 | 0.056 | 0.000 | 0.13 | CHON |
| 2015-05-05 | 2015-05-08 | C18H36O5S | H | 363.221056 | 4933780 | 4933780.00 | 363.221069 | -0.0344 | -1 | 1 | 0.28 | 2.00 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H34O5S | H | 361.205405 | 5604780 | 5604780.00 | 361.205418 | -0.0372 | -1 | 2 | 0.28 | 1.89 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H30N2O5 | H | 353.208182 | 6211559 | 6211559.00 | 353.208196 | -0.0386 | -1 | 5 | 0.28 | 1.67 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H26O5S | H | 353.142802 | 13039558 | 13039558.00 | 353.142818 | -0.0458 | -1 | 6 | 0.28 | 1.44 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H28O5S | H | 355.158446 | 42810268 | 50280715.00 | 355.158468 | -0.0626 | -1 | 5 | 0.28 | 1.56 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H29NO5S | H | 370.169345 | 11104544 | 11104544.00 | 370.169367 | -0.0602 | -1 | 5 | 0.28 | 1.61 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H35NO6S | H | 428.211279 | 5811762 | 5811762.00 | 428.211232 | 0.1095 | -1 | 5 | 0.29 | 1.67 | 0.048 | 0.048 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H33NO6 | H | 394.223541 | 6194056 | 6194056.00 | 394.223511 | 0.0752 | -1 | 6 | 0.29 | 1.57 | 0.048 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C21H32O6 | H | 379.212637 | 11483524 | 11483524.00 | 379.212612 | 0.0651 | -1 | 6 | 0.29 | 1.52 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C21H30O6 | H | 377.196986 | 8648668 | 8648668.00 | 377.196962 | 0.0630 | -1 | 7 | 0.29 | 1.43 | 0.000 | 0.000 | 0.07 | CHO |
| 2015-05-05 | 2015-05-08 | C21H35NO6 | H | 396.239184 | 6649020 | 6649020.00 | 396.239161 | 0.0570 | -1 | 5 | 0.29 | 1.67 | 0.048 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H24O4S | H | 287.132270 | 5148991 | 5148991.00 | 287.132253 | 0.0575 | -1 | 3 | 0.29 | 1.71 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H19NO4 | H | 264.124148 | 7151776 | 7151776.00 | 264.124132 | 0.0619 | -1 | 6 | 0.29 | 1.36 | 0.071 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C14H28O4S | H | 291.163568 | 5659727 | 5659727.00 | 291.163554 | 0.0494 | -1 | 1 | 0.29 | 2.00 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H20O4 | H | 251.128889 | 16624079 | 16624079.00 | 251.128883 | 0.0252 | -1 | 5 | 0.29 | 1.43 | 0.000 | 0.000 | 0.10 | CHO |
| 2015-05-05 | 2015-05-08 | C14H21NO4 | H | 266.139786 | 9775544 | 9775544.00 | 266.139782 | 0.0161 | -1 | 5 | 0.29 | 1.50 | 0.071 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C21H36O6 | H | 383.243915 | 15277192 | 15277192.00 | 383.243912 | 0.0067 | -1 | 4 | 0.29 | 1.71 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C21H34O6S | H | 413.200335 | 12103773 | 12103773.00 | 413.200333 | 0.0047 | -1 | 5 | 0.29 | 1.62 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H20N2O4 | H | 279.135032 | 7216595 | 7216595.00 | 279.135031 | 0.0047 | -1 | 6 | 0.29 | 1.43 | 0.143 | 0.000 | 0.13 | CHON |
| 2015-05-05 | 2015-05-08 | C14H24N2O4 | H | 283.166332 | 4745017 | 4745017.00 | 283.166331 | 0.0042 | -1 | 4 | 0.29 | 1.71 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H18O4S | H | 281.085304 | 7212656 | 7212656.00 | 281.085303 | 0.0025 | -1 | 6 | 0.29 | 1.29 | 0.000 | 0.071 | 0.11 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H16N2O4 | H | 275.103729 | 4535486 | 4535486.00 | 275.103731 | -0.0057 | -1 | 8 | 0.29 | 1.14 | 0.143 | 0.000 | 0.38 | CHON |
| 2015-05-05 | 2015-05-08 | C14H18O4 | H | 249.113231 | 10384857 | 10384857.00 | 249.113233 | -0.0065 | -1 | 6 | 0.29 | 1.29 | 0.000 | 0.000 | 0.20 | CHO |
| 2015-05-05 | 2015-05-08 | C14H16O4 | H | 247.097580 | 5753169 | 5753169.00 | 247.097583 | -0.0103 | -1 | 7 | 0.29 | 1.14 | 0.000 | 0.000 | 0.30 | CHO |
| 2015-05-05 | 2015-05-08 | C21H37NO6 | H | 398.254808 | 4851187 | 4851187.00 | 398.254811 | -0.0087 | -1 | 4 | 0.29 | 1.76 | 0.048 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C21H36O6S | H | 415.215979 | 18051596 | 22151660.43 | 415.215983 | -0.0099 | -1 | 4 | 0.29 | 1.71 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H38O6 | H | 385.259558 | 14573036 | 14573036.00 | 385.259563 | -0.0117 | -1 | 3 | 0.29 | 1.81 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H17NO4 | H | 262.108472 | 4460362 | 4460362.00 | 262.108482 | -0.0366 | -1 | 7 | 0.29 | 1.21 | 0.071 | 0.000 | 0.28 | CHON |
| 2015-05-05 | 2015-05-08 | C14H20O4S | H | 283.100943 | 18112306 | 18112306.00 | 283.100953 | -0.0366 | -1 | 5 | 0.29 | 1.43 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H34O6 | H | 381.228252 | 9870097 | 9870097.00 | 381.228262 | -0.0272 | -1 | 5 | 0.29 | 1.62 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H23NO4 | H | 268.155419 | 8456860 | 8456860.00 | 268.155432 | -0.0477 | -1 | 4 | 0.29 | 1.64 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C21H38O6S | H | 417.231584 | 8377291 | 8377291.00 | 417.231633 | -0.1179 | -1 | 3 | 0.29 | 1.81 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H7N5O4S | H | 340.014524 | 12916901 | 12916901.00 | 340.014598 | -0.2176 | -1 | 14 | 0.29 | 0.50 | 0.357 | 0.071 | 1.63 | CHONS |
| 2015-05-05 | 2015-05-08 | C24H38O7 | H | 437.254511 | 4654991 | 4654991.00 | 437.254477 | 0.0775 | -1 | 6 | 0.29 | 1.58 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C24H42O7 | H | 441.285798 | 4836315 | 4836315.00 | 441.285777 | 0.0470 | -1 | 4 | 0.29 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C24H34O7 | H | 433.223192 | 4748115 | 4748115.00 | 433.223177 | 0.0346 | -1 | 8 | 0.29 | 1.42 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C17H23NO5 | H | 320.150377 | 5668841 | 5668841.00 | 320.150346 | 0.0956 | -1 | 7 | 0.29 | 1.35 | 0.059 | 0.000 | 0.14 | CHON |
| 2015-05-05 | 2015-05-08 | C17H20O5 | H | 303.123811 | 5844433 | 5844433.00 | 303.123797 | 0.0452 | -1 | 8 | 0.29 | 1.18 | 0.000 | 0.000 | 0.25 | CHO |
| 2015-05-05 | 2015-05-08 | C17H29NO5S | H | 358.169375 | 5681379 | 5681379.00 | 358.169367 | 0.0215 | -1 | 4 | 0.29 | 1.71 | 0.059 | 0.059 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C17H28O5S | H | 343.158474 | 37462252 | 44098661.00 | 343.158468 | 0.0168 | -1 | 4 | 0.29 | 1.65 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H24O5S | H | 339.127171 | 6661693 | 6661693.00 | 339.127168 | 0.0085 | -1 | 6 | 0.29 | 1.41 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H34O5S | H | 349.205421 | 8408957 | 8408957.00 | 349.205418 | 0.0073 | -1 | 1 | 0.29 | 2.00 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H25NO5 | H | 322.165997 | 9110947 | 9110947.00 | 322.165996 | 0.0017 | -1 | 6 | 0.29 | 1.47 | 0.059 | 0.000 | 0.05 | CHON |
| 2015-05-05 | 2015-05-08 | C17H28N2O5 | H | 339.192546 | 8205931 | 8205931.00 | 339.192546 | 0.0013 | -1 | 5 | 0.29 | 1.65 | 0.118 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H26O5S | H | 341.142815 | 22207400 | 22207400.00 | 341.142818 | -0.0093 | -1 | 5 | 0.29 | 1.53 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H21NO5 | H | 318.134692 | 5679688 | 5679688.00 | 318.134696 | -0.0136 | -1 | 8 | 0.29 | 1.24 | 0.059 | 0.000 | 0.23 | CHON |
| 2015-05-05 | 2015-05-08 | C17H30O5S | H | 345.174112 | 11806207 | 11806207.00 | 345.174118 | -0.0183 | -1 | 3 | 0.29 | 1.76 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H24O5 | H | 307.155080 | 14335584 | 14335584.00 | 307.155097 | -0.0567 | -1 | 6 | 0.29 | 1.41 | 0.000 | 0.000 | 0.08 | CHO |
| 2015-05-05 | 2015-05-08 | C17H22O5 | H | 305.139425 | 8862196 | 8862196.00 | 305.139447 | -0.0733 | -1 | 7 | 0.29 | 1.29 | 0.000 | 0.000 | 0.17 | CHO |
| 2015-05-05 | 2015-05-08 | C17H27NO5S | H | 356.153686 | 5684587 | 5684587.00 | 356.153717 | -0.0877 | -1 | 5 | 0.29 | 1.59 | 0.059 | 0.059 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H33NO6 | H | 382.223549 | 7224269 | 7224269.00 | 382.223511 | 0.0985 | -1 | 5 | 0.30 | 1.65 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H30O6 | H | 365.196988 | 15289147 | 15289147.00 | 365.196962 | 0.0705 | -1 | 6 | 0.30 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H33NO6S | H | 414.195604 | 6148400 | 6148400.00 | 414.195582 | 0.0530 | -1 | 5 | 0.30 | 1.65 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H34O6 | H | 369.228280 | 13914135 | 13914135.00 | 369.228262 | 0.0477 | -1 | 4 | 0.30 | 1.70 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H30O6S | H | 397.169050 | 5657931 | 5657931.00 | 397.169033 | 0.0430 | -1 | 6 | 0.30 | 1.50 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H36O6S | H | 403.215990 | 15198476 | 15198476.00 | 403.215983 | 0.0170 | -1 | 3 | 0.30 | 1.80 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H19NO3 | H | 200.129221 | 11028103 | 11028103.00 | 200.129217 | 0.0198 | -1 | 2 | 0.30 | 1.90 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H12O3 | H | 179.071370 | 7515633 | 7515633.00 | 179.071368 | 0.0123 | -1 | 5 | 0.30 | 1.20 | 0.000 | 0.000 | 0.29 | CHO |
| 2015-05-05 | 2015-05-08 | C20H31NO6S | H | 412.179934 | 4644745 | 4644745.00 | 412.179932 | 0.0049 | -1 | 6 | 0.30 | 1.55 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H34O6S | H | 401.200335 | 24618946 | 24618946.00 | 401.200333 | 0.0048 | -1 | 4 | 0.30 | 1.70 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H16O3 | H | 183.102669 | 14935086 | 14935086.00 | 183.102668 | 0.0059 | -1 | 3 | 0.30 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H15NO3 | H | 196.097917 | 6989124 | 6989124.00 | 196.097917 | 0.0005 | -1 | 4 | 0.30 | 1.50 | 0.100 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C20H31NO6 | H | 380.207860 | 5835339 | 5835339.00 | 380.207861 | -0.0034 | -1 | 6 | 0.30 | 1.55 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H12O3S | H | 211.043437 | 4065306 | 4065306.00 | 211.043438 | -0.0071 | -1 | 5 | 0.30 | 1.20 | 0.000 | 0.100 | 0.17 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H25NO6 | H | 374.160909 | 4904231 | 4904231.00 | 374.160911 | -0.0056 | -1 | 9 | 0.30 | 1.25 | 0.050 | 0.000 | 0.19 | CHON |
| 2015-05-05 | 2015-05-08 | C10H14O3 | H | 181.087015 | 7876103 | 7876103.00 | 181.087018 | -0.0158 | -1 | 4 | 0.30 | 1.40 | 0.000 | 0.000 | 0.14 | CHO |
| 2015-05-05 | 2015-05-08 | C20H32O6S | H | 399.184680 | 13919876 | 13919876.00 | 399.184683 | -0.0075 | -1 | 5 | 0.30 | 1.60 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H18O3 | H | 185.118314 | 11333986 | 11333986.00 | 185.118318 | -0.0216 | -1 | 2 | 0.30 | 1.80 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H13NO3 | H | 194.082261 | 7703941 | 7703941.00 | 194.082267 | -0.0301 | -1 | 5 | 0.30 | 1.30 | 0.100 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C20H38O6S | H | 405.231627 | 4713059 | 4713059.00 | 405.231633 | -0.0153 | -1 | 2 | 0.30 | 1.90 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H28O6 | H | 363.181304 | 16697478 | 16697478.00 | 363.181312 | -0.0225 | -1 | 7 | 0.30 | 1.40 | 0.000 | 0.000 | 0.07 | CHO |
| 2015-05-05 | 2015-05-08 | C20H35NO6 | H | 384.239152 | 5950778 | 5950778.00 | 384.239161 | -0.0245 | -1 | 4 | 0.30 | 1.75 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H37NO6 | H | 386.254798 | 4869782 | 4869782.00 | 386.254811 | -0.0349 | -1 | 3 | 0.30 | 1.85 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H32O6 | H | 367.212598 | 15273407 | 15273407.00 | 367.212612 | -0.0390 | -1 | 5 | 0.30 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H29NO6 | H | 378.192189 | 9066673 | 9066673.00 | 378.192211 | -0.0587 | -1 | 7 | 0.30 | 1.45 | 0.050 | 0.000 | 0.04 | CHON |
| 2015-05-05 | 2015-05-08 | C20H27NO6 | H | 376.176537 | 5334779 | 5334779.00 | 376.176561 | -0.0642 | -1 | 8 | 0.30 | 1.35 | 0.050 | 0.000 | 0.12 | CHON |
| 2015-05-05 | 2015-05-08 | C20H35NO6S | H | 416.211206 | 5112551 | 5112551.00 | 416.211232 | -0.0627 | -1 | 4 | 0.30 | 1.75 | 0.050 | 0.050 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C20H26O6 | H | 361.165618 | 7017885 | 7017885.00 | 361.165662 | -0.1221 | -1 | 8 | 0.30 | 1.30 | 0.000 | 0.000 | 0.14 | CHO |
| 2015-05-05 | 2015-05-08 | C23H36O7 | H | 423.238950 | 4770129 | 4770129.00 | 423.238827 | 0.2905 | -1 | 6 | 0.30 | 1.57 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H40O7 | H | 427.270165 | 7142721 | 7142721.00 | 427.270127 | 0.0885 | -1 | 4 | 0.30 | 1.74 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H38O7 | H | 425.254509 | 6273860 | 6273860.00 | 425.254477 | 0.0750 | -1 | 5 | 0.30 | 1.65 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H42O7 | H | 429.285809 | 6074183 | 6074183.00 | 429.285777 | 0.0740 | -1 | 3 | 0.30 | 1.83 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H32O7 | H | 419.207525 | 5952911 | 5952911.00 | 419.207527 | -0.0046 | -1 | 8 | 0.30 | 1.39 | 0.000 | 0.000 | 0.06 | CHO |
| 2015-05-05 | 2015-05-08 | C13H16O4 | H | 235.097596 | 9371708 | 9371708.00 | 235.097583 | 0.0572 | -1 | 6 | 0.31 | 1.23 | 0.000 | 0.000 | 0.22 | CHO |
| 2015-05-05 | 2015-05-08 | C13H22O4S | H | 273.116614 | 4652088 | 4652088.00 | 273.116603 | 0.0387 | -1 | 3 | 0.31 | 1.69 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H23NO4 | H | 256.155439 | 9228670 | 9228670.00 | 256.155432 | 0.0282 | -1 | 3 | 0.31 | 1.77 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H20O4S | H | 271.100957 | 27876260 | 31795786.82 | 271.100953 | 0.0134 | -1 | 4 | 0.31 | 1.54 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H18O4S | H | 269.085305 | 11528950 | 11528950.00 | 269.085303 | 0.0063 | -1 | 5 | 0.31 | 1.38 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H19NO4 | H | 252.124132 | 7402385 | 7402385.00 | 252.124132 | 0.0014 | -1 | 5 | 0.31 | 1.46 | 0.077 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C16H22N2O5 | H | 321.145618 | 4563643 | 4563643.00 | 321.145595 | 0.0705 | -1 | 7 | 0.31 | 1.38 | 0.125 | 0.000 | 0.11 | CHON |
| 2015-05-05 | 2015-05-08 | C16H24N2O5 | H | 323.161255 | 5339262 | 5339262.00 | 323.161245 | 0.0296 | -1 | 6 | 0.31 | 1.50 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H25NO5 | H | 310.165998 | 9176433 | 9176433.00 | 310.165996 | 0.0049 | -1 | 5 | 0.31 | 1.56 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H22O5 | H | 293.139448 | 14091848 | 14091848.00 | 293.139447 | 0.0022 | -1 | 6 | 0.31 | 1.38 | 0.000 | 0.000 | 0.09 | CHO |
| 2015-05-05 | 2015-05-08 | C16H16O5 | H | 287.092496 | 5132601 | 5132601.00 | 287.092497 | -0.0041 | -1 | 9 | 0.31 | 1.00 | 0.000 | 0.000 | 0.36 | CHO |
| 2015-05-05 | 2015-05-08 | C16H30O5S | H | 333.174115 | 5141894 | 5141894.00 | 333.174118 | -0.0099 | -1 | 2 | 0.31 | 1.88 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H28O5S | H | 331.158462 | 5853110 | 5853110.00 | 331.158468 | -0.0189 | -1 | 3 | 0.31 | 1.75 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H33NO5S | H | 350.200661 | 8622511 | 8622511.00 | 350.200667 | -0.0183 | -1 | 1 | 0.31 | 2.06 | 0.063 | 0.063 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C16H32O5S | H | 335.189761 | 8842055 | 8842055.00 | 335.189768 | -0.0220 | -1 | 1 | 0.31 | 2.00 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H21NO5 | H | 306.134683 | 6355995 | 6355995.00 | 306.134696 | -0.0436 | -1 | 7 | 0.31 | 1.31 | 0.063 | 0.000 | 0.15 | CHON |
| 2015-05-05 | 2015-05-08 | C16H28N2O5 | H | 327.192531 | 8557613 | 8557613.00 | 327.192546 | -0.0445 | -1 | 4 | 0.31 | 1.75 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H23NO5 | H | 308.150331 | 5611687 | 5611687.00 | 308.150346 | -0.0500 | -1 | 6 | 0.31 | 1.44 | 0.063 | 0.000 | 0.05 | CHON |
| 2015-05-05 | 2015-05-08 | C16H29NO5 | H | 314.197274 | 8511399 | 8511399.00 | 314.197297 | -0.0719 | -1 | 3 | 0.31 | 1.81 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H24O5S | H | 327.127140 | 10384380 | 10384380.00 | 327.127168 | -0.0860 | -1 | 5 | 0.31 | 1.50 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H20O5 | H | 291.123764 | 6560838 | 6560838.00 | 291.123797 | -0.1144 | -1 | 7 | 0.31 | 1.25 | 0.000 | 0.000 | 0.18 | CHO |
| 2015-05-05 | 2015-05-08 | C16H26O5S | H | 329.142772 | 18766298 | 18766298.00 | 329.142818 | -0.1403 | -1 | 4 | 0.31 | 1.63 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H36O6S | H | 391.216022 | 6095287 | 6095287.00 | 391.215983 | 0.0994 | -1 | 2 | 0.32 | 1.89 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H28O6S | H | 383.153415 | 5631096 | 5631096.00 | 383.153383 | 0.0839 | -1 | 6 | 0.32 | 1.47 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H30O6S | H | 385.169053 | 16457181 | 16457181.00 | 385.169033 | 0.0521 | -1 | 5 | 0.32 | 1.58 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H31NO6S | H | 400.179951 | 5134112 | 5134112.00 | 400.179932 | 0.0476 | -1 | 5 | 0.32 | 1.63 | 0.053 | 0.053 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H35NO6 | H | 372.239179 | 7590729 | 7590729.00 | 372.239161 | 0.0473 | -1 | 3 | 0.32 | 1.84 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H28N2O6 | H | 379.187477 | 5974399 | 5974399.00 | 379.187460 | 0.0443 | -1 | 7 | 0.32 | 1.47 | 0.105 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H32O6S | H | 387.184699 | 24469298 | 24469298.00 | 387.184683 | 0.0413 | -1 | 4 | 0.32 | 1.68 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H34O6S | H | 389.200342 | 15556729 | 15556729.00 | 389.200333 | 0.0230 | -1 | 3 | 0.32 | 1.79 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H38O6 | H | 361.259566 | 7480769 | 7480769.00 | 361.259563 | 0.0097 | -1 | 1 | 0.32 | 2.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H27NO6 | H | 364.176561 | 19450338 | 19450338.00 | 364.176561 | -0.0004 | -1 | 7 | 0.32 | 1.42 | 0.053 | 0.000 | 0.04 | CHON |
| 2015-05-05 | 2015-05-08 | C19H30N2O6 | H | 381.203104 | 4672269 | 4672269.00 | 381.203110 | -0.0164 | -1 | 6 | 0.32 | 1.58 | 0.105 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H31NO6 | H | 368.207854 | 8113901 | 8113901.00 | 368.207861 | -0.0198 | -1 | 5 | 0.32 | 1.63 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H26O6 | H | 349.165654 | 9875303 | 9875303.00 | 349.165662 | -0.0232 | -1 | 7 | 0.32 | 1.37 | 0.000 | 0.000 | 0.08 | CHO |
| 2015-05-05 | 2015-05-08 | C19H36O6 | H | 359.243903 | 10117795 | 10117795.00 | 359.243912 | -0.0263 | -1 | 2 | 0.32 | 1.89 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H25NO6 | H | 362.160901 | 6379284 | 6379284.00 | 362.160911 | -0.0279 | -1 | 8 | 0.32 | 1.32 | 0.053 | 0.000 | 0.13 | CHON |
| 2015-05-05 | 2015-05-08 | C19H28O6 | H | 351.181299 | 20935622 | 25237868.11 | 351.181312 | -0.0375 | -1 | 6 | 0.32 | 1.47 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H33NO6 | H | 370.223498 | 6844719 | 6844719.00 | 370.223511 | -0.0360 | -1 | 4 | 0.32 | 1.74 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H34O6 | H | 357.228247 | 24821580 | 29922385.99 | 357.228262 | -0.0430 | -1 | 3 | 0.32 | 1.79 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H30O6 | H | 353.196946 | 21100512 | 25436642.82 | 353.196962 | -0.0460 | -1 | 5 | 0.32 | 1.58 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H29NO6 | H | 366.192193 | 8703103 | 8703103.00 | 366.192211 | -0.0497 | -1 | 6 | 0.32 | 1.53 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H32O6 | H | 355.212587 | 19233718 | 19233718.00 | 355.212612 | -0.0712 | -1 | 4 | 0.32 | 1.68 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H24O6 | H | 347.149977 | 9112260 | 9112260.00 | 347.150012 | -0.1010 | -1 | 8 | 0.32 | 1.26 | 0.000 | 0.000 | 0.15 | CHO |
| 2015-05-05 | 2015-05-08 | C19H38O6S | H | 393.231583 | 7496431 | 7496431.00 | 393.231633 | -0.1276 | -1 | 1 | 0.32 | 2.00 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H33NO6S | H | 402.195524 | 5388388 | 5388388.00 | 402.195582 | -0.1443 | -1 | 4 | 0.32 | 1.74 | 0.053 | 0.053 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C22H43NO7S | H | 464.268788 | 5358562 | 5358562.00 | 464.268747 | 0.0884 | -1 | 2 | 0.32 | 1.95 | 0.045 | 0.045 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C22H34O7 | H | 409.223206 | 6294845 | 6294845.00 | 409.223177 | 0.0709 | -1 | 6 | 0.32 | 1.55 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H32O7 | H | 407.207553 | 7752643 | 7752643.00 | 407.207527 | 0.0640 | -1 | 7 | 0.32 | 1.45 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H36O7 | H | 411.238843 | 8203977 | 8203977.00 | 411.238827 | 0.0388 | -1 | 5 | 0.32 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H40O7 | H | 415.270142 | 5272088 | 5272088.00 | 415.270127 | 0.0357 | -1 | 3 | 0.32 | 1.82 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H30O7 | H | 405.191870 | 5028444 | 5028444.00 | 405.191877 | -0.0169 | -1 | 8 | 0.32 | 1.36 | 0.000 | 0.000 | 0.07 | CHO |
| 2015-05-05 | 2015-05-08 | C22H38O7 | H | 413.254470 | 11300968 | 11300968.00 | 413.254477 | -0.0172 | -1 | 4 | 0.32 | 1.73 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H27NO5S | H | 332.153810 | 5186198 | 5186198.00 | 332.153717 | 0.2793 | -1 | 3 | 0.33 | 1.80 | 0.067 | 0.067 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H37NO6S | H | 394.226937 | 5538696 | 5538696.00 | 394.226882 | 0.1391 | -1 | 1 | 0.33 | 2.06 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H38O7S | H | 433.226589 | 4801364 | 4801364.00 | 433.226548 | 0.0951 | -1 | 3 | 0.33 | 1.81 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H22O6 | H | 333.134400 | 5772649 | 5772649.00 | 333.134362 | 0.1141 | -1 | 8 | 0.33 | 1.22 | 0.000 | 0.000 | 0.17 | CHO |
| 2015-05-05 | 2015-05-08 | C21H36O7 | H | 399.238856 | 9094796 | 9094796.00 | 399.238827 | 0.0725 | -1 | 4 | 0.33 | 1.71 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H24O4S | H | 263.132282 | 6178816 | 6178816.00 | 263.132253 | 0.1083 | -1 | 1 | 0.33 | 2.00 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H28O5S | H | 319.158490 | 6593825 | 6593825.00 | 319.158468 | 0.0682 | -1 | 2 | 0.33 | 1.87 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H17NO4 | H | 238.108503 | 7257356 | 7257356.00 | 238.108482 | 0.0899 | -1 | 5 | 0.33 | 1.42 | 0.083 | 0.000 | 0.07 | CHON |
| 2015-05-05 | 2015-05-08 | C15H23NO5 | H | 296.150366 | 7322113 | 7322113.00 | 296.150346 | 0.0662 | -1 | 5 | 0.33 | 1.53 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H22O5S | H | 313.111537 | 8686804 | 8686804.00 | 313.111518 | 0.0605 | -1 | 5 | 0.33 | 1.47 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H19NO5 | H | 292.119065 | 4531512 | 4531512.00 | 292.119046 | 0.0641 | -1 | 7 | 0.33 | 1.27 | 0.067 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C21H36O7S | H | 431.210915 | 7184702 | 7184702.00 | 431.210898 | 0.0400 | -1 | 4 | 0.33 | 1.71 | 0.000 | 0.048 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H34O7 | H | 397.223194 | 9643347 | 9643347.00 | 397.223177 | 0.0428 | -1 | 5 | 0.33 | 1.62 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H33NO6 | H | 358.223528 | 6521082 | 6521082.00 | 358.223511 | 0.0465 | -1 | 3 | 0.33 | 1.83 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H17NO6 | H | 342.098325 | 15982125 | 15982125.00 | 342.098311 | 0.0414 | -1 | 11 | 0.33 | 0.94 | 0.056 | 0.000 | 0.41 | CHON |
| 2015-05-05 | 2015-05-08 | C12H16O4S | H | 255.069666 | 10735635 | 10735635.00 | 255.069653 | 0.0500 | -1 | 5 | 0.33 | 1.33 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H18O4S | H | 257.085316 | 21131932 | 21131932.00 | 257.085303 | 0.0494 | -1 | 4 | 0.33 | 1.50 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H26O6 | H | 337.165674 | 15569109 | 15569109.00 | 337.165662 | 0.0352 | -1 | 6 | 0.33 | 1.44 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H19NO4 | H | 240.124140 | 6120613 | 6120613.00 | 240.124132 | 0.0348 | -1 | 4 | 0.33 | 1.58 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H24O5S | H | 315.127176 | 14717469 | 14717469.00 | 315.127168 | 0.0250 | -1 | 4 | 0.33 | 1.60 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H28N2O6 | H | 367.187468 | 4902328 | 4902328.00 | 367.187460 | 0.0213 | -1 | 6 | 0.33 | 1.56 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H34O6S | H | 377.200340 | 6547421 | 6547421.00 | 377.200333 | 0.0184 | -1 | 2 | 0.33 | 1.89 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H36O6S | H | 379.215986 | 11450756 | 11450756.00 | 379.215983 | 0.0076 | -1 | 1 | 0.33 | 2.00 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H17NO5 | H | 290.103398 | 5114723 | 5114723.00 | 290.103396 | 0.0062 | -1 | 8 | 0.33 | 1.13 | 0.067 | 0.000 | 0.28 | CHON |
| 2015-05-05 | 2015-05-08 | C12H20O4 | H | 227.128884 | 24575820 | 24575820.00 | 227.128883 | 0.0058 | -1 | 3 | 0.33 | 1.67 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H28O6S | H | 371.153384 | 7500332 | 7500332.00 | 371.153383 | 0.0030 | -1 | 5 | 0.33 | 1.56 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H15NO3 | H | 184.097918 | 3883679 | 3883679.00 | 184.097917 | 0.0060 | -1 | 3 | 0.33 | 1.67 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H30O5S | H | 321.174119 | 5632719 | 5632719.00 | 321.174118 | 0.0021 | -1 | 1 | 0.33 | 2.00 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H16O4 | H | 223.097583 | 9691060 | 9691060.00 | 223.097583 | 0.0020 | -1 | 5 | 0.33 | 1.33 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C9H11NO3 | H | 180.066617 | 4641879 | 4641879.00 | 180.066617 | 0.0013 | -1 | 5 | 0.33 | 1.22 | 0.111 | 0.000 | 0.30 | CHON |
| 2015-05-05 | 2015-05-08 | C18H29NO6 | H | 354.192211 | 8493518 | 8493518.00 | 354.192211 | -0.0006 | -1 | 5 | 0.33 | 1.61 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H16O3 | H | 171.102667 | 18343674 | 18343674.00 | 171.102668 | -0.0054 | -1 | 2 | 0.33 | 1.78 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H18O5 | H | 277.108146 | 5625155 | 5625155.00 | 277.108147 | -0.0045 | -1 | 7 | 0.33 | 1.20 | 0.000 | 0.000 | 0.20 | CHO |
| 2015-05-05 | 2015-05-08 | C12H18O4 | H | 225.113231 | 10195887 | 10195887.00 | 225.113233 | -0.0072 | -1 | 4 | 0.33 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H13NO3 | H | 182.082265 | 4124657 | 4124657.00 | 182.082267 | -0.0101 | -1 | 4 | 0.33 | 1.44 | 0.111 | 0.000 | 0.10 | CHON |
| 2015-05-05 | 2015-05-08 | C12H23NO4 | H | 244.155429 | 4747672 | 4747672.00 | 244.155432 | -0.0114 | -1 | 2 | 0.33 | 1.92 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H12O3 | H | 167.071365 | 7921499 | 7921499.00 | 167.071368 | -0.0168 | -1 | 4 | 0.33 | 1.33 | 0.000 | 0.000 | 0.17 | CHO |
| 2015-05-05 | 2015-05-08 | C18H36O6 | H | 347.243908 | 5835517 | 5835517.00 | 347.243912 | -0.0128 | -1 | 1 | 0.33 | 2.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C21H32O7 | H | 395.207522 | 5698590 | 5698590.00 | 395.207527 | -0.0125 | -1 | 6 | 0.33 | 1.52 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H18O3 | H | 173.118313 | 10180600 | 10180600.00 | 173.118318 | -0.0288 | -1 | 1 | 0.33 | 2.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H23NO6 | H | 348.145256 | 6188310 | 6188310.00 | 348.145261 | -0.0144 | -1 | 8 | 0.33 | 1.28 | 0.056 | 0.000 | 0.14 | CHON |
| 2015-05-05 | 2015-05-08 | C9H14O3 | H | 169.087012 | 16030331 | 16030331.00 | 169.087018 | -0.0347 | -1 | 3 | 0.33 | 1.56 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H21NO4 | H | 242.139774 | 5976955 | 5976955.00 | 242.139782 | -0.0319 | -1 | 3 | 0.33 | 1.75 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H21NO5 | H | 294.134688 | 9406314 | 9406314.00 | 294.134696 | -0.0283 | -1 | 6 | 0.33 | 1.40 | 0.067 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C18H35NO6S | H | 392.211223 | 7590482 | 7590482.00 | 392.211232 | -0.0232 | -1 | 2 | 0.33 | 1.94 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C21H28O7 | H | 391.176217 | 5083569 | 5083569.00 | 391.176227 | -0.0251 | -1 | 8 | 0.33 | 1.33 | 0.000 | 0.000 | 0.07 | CHO |
| 2015-05-05 | 2015-05-08 | C21H30O7 | H | 393.191865 | 6652649 | 6652649.00 | 393.191877 | -0.0302 | -1 | 7 | 0.33 | 1.43 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H24O6 | H | 335.149999 | 8719146 | 8719146.00 | 335.150012 | -0.0389 | -1 | 7 | 0.33 | 1.33 | 0.000 | 0.000 | 0.08 | CHO |
| 2015-05-05 | 2015-05-08 | C15H26O5S | H | 317.142804 | 9656205 | 9656205.00 | 317.142818 | -0.0447 | -1 | 3 | 0.33 | 1.73 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H32O6S | H | 375.184666 | 8975897 | 8975897.00 | 375.184683 | -0.0453 | -1 | 3 | 0.33 | 1.78 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H27NO6 | H | 352.176543 | 9090518 | 9090518.00 | 352.176561 | -0.0515 | -1 | 6 | 0.33 | 1.50 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H30O6S | H | 373.169011 | 12497972 | 12497972.00 | 373.169033 | -0.0588 | -1 | 4 | 0.33 | 1.67 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H31NO6 | H | 356.207839 | 8887683 | 8887683.00 | 356.207861 | -0.0625 | -1 | 4 | 0.33 | 1.72 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H31NO6S | H | 388.179909 | 23519188 | 23519188.00 | 388.179932 | -0.0592 | -1 | 4 | 0.33 | 1.72 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C15H25NO5 | H | 298.165969 | 8068348 | 8068348.00 | 298.165996 | -0.0921 | -1 | 4 | 0.33 | 1.67 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H22N2O5 | H | 309.145566 | 7398141 | 7398141.00 | 309.145595 | -0.0950 | -1 | 6 | 0.33 | 1.47 | 0.133 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H25N3O6 | H | 378.167029 | 7272620 | 7272620.00 | 378.167059 | -0.0796 | -1 | 8 | 0.33 | 1.39 | 0.167 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C18H25NO6 | H | 350.160879 | 6717849 | 6717849.00 | 350.160911 | -0.0916 | -1 | 7 | 0.33 | 1.39 | 0.056 | 0.000 | 0.05 | CHON |
| 2015-05-05 | 2015-05-08 | C21H38O7 | H | 401.254442 | 9152460 | 9152460.00 | 401.254477 | -0.0875 | -1 | 3 | 0.33 | 1.81 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C23H34O8 | H | 437.218037 | 4827013 | 4827013.00 | 437.218092 | -0.1249 | -1 | 7 | 0.35 | 1.48 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H29NO7 | H | 394.187160 | 4985730 | 4985730.00 | 394.187126 | 0.0867 | -1 | 7 | 0.35 | 1.45 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H28O7 | H | 379.176258 | 9345404 | 9345404.00 | 379.176227 | 0.0823 | -1 | 7 | 0.35 | 1.40 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H30O7 | H | 381.191894 | 11344650 | 11344650.00 | 381.191877 | 0.0449 | -1 | 6 | 0.35 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H34O7 | H | 385.223185 | 15818214 | 15818214.00 | 385.223177 | 0.0208 | -1 | 4 | 0.35 | 1.70 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H36O7S | H | 419.210904 | 6362512 | 6362512.00 | 419.210898 | 0.0149 | -1 | 3 | 0.35 | 1.80 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H36O7 | H | 387.238833 | 11525946 | 11525946.00 | 387.238827 | 0.0153 | -1 | 3 | 0.35 | 1.80 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H32O7 | H | 383.207529 | 12688514 | 12688514.00 | 383.207527 | 0.0054 | -1 | 5 | 0.35 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H31NO7 | H | 396.202774 | 5768375 | 5768375.00 | 396.202776 | -0.0048 | -1 | 6 | 0.35 | 1.55 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H34O7S | H | 417.195224 | 8082370 | 8082370.00 | 417.195248 | -0.0568 | -1 | 4 | 0.35 | 1.70 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H33NO7 | H | 398.218393 | 5957101 | 5957101.00 | 398.218426 | -0.0828 | -1 | 5 | 0.35 | 1.65 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H32O7S | H | 415.179554 | 5071364 | 5071364.00 | 415.179598 | -0.1051 | -1 | 5 | 0.35 | 1.60 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H24N2O6 | H | 351.156182 | 4670394 | 4670394.00 | 351.156160 | 0.0625 | -1 | 7 | 0.35 | 1.41 | 0.118 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H22O6 | H | 321.134383 | 7664306 | 7664306.00 | 321.134362 | 0.0654 | -1 | 7 | 0.35 | 1.29 | 0.000 | 0.000 | 0.09 | CHO |
| 2015-05-05 | 2015-05-08 | C17H32O6S | H | 363.184704 | 5843079 | 5843079.00 | 363.184683 | 0.0578 | -1 | 2 | 0.35 | 1.88 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H24O6 | H | 323.150024 | 10782838 | 10782838.00 | 323.150012 | 0.0370 | -1 | 6 | 0.35 | 1.41 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H26O6S | H | 357.137744 | 4771620 | 4771620.00 | 357.137733 | 0.0313 | -1 | 5 | 0.35 | 1.53 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H25NO6 | H | 338.160922 | 8549271 | 8549271.00 | 338.160911 | 0.0323 | -1 | 6 | 0.35 | 1.47 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H23NO6 | H | 336.145263 | 6483450 | 6483450.00 | 336.145261 | 0.0059 | -1 | 7 | 0.35 | 1.35 | 0.059 | 0.000 | 0.05 | CHON |
| 2015-05-05 | 2015-05-08 | C17H31NO6 | H | 344.207861 | 6525847 | 6525847.00 | 344.207861 | -0.0008 | -1 | 3 | 0.35 | 1.82 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H30O6S | H | 361.169032 | 6301086 | 6301086.00 | 361.169033 | -0.0026 | -1 | 3 | 0.35 | 1.76 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H34O6S | H | 365.200331 | 15993660 | 15993660.00 | 365.200333 | -0.0056 | -1 | 1 | 0.35 | 2.00 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H27NO6 | H | 340.176558 | 9406740 | 9406740.00 | 340.176561 | -0.0093 | -1 | 5 | 0.35 | 1.59 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H28O6S | H | 359.153377 | 8143486 | 8143486.00 | 359.153383 | -0.0163 | -1 | 4 | 0.35 | 1.65 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H32O6 | H | 331.212606 | 9838558 | 9838558.00 | 331.212612 | -0.0190 | -1 | 2 | 0.35 | 1.88 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H26N2O6 | H | 353.171803 | 4872148 | 4872148.00 | 353.171810 | -0.0202 | -1 | 6 | 0.35 | 1.53 | 0.118 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H30O6 | H | 329.196944 | 32946690 | 39004511.78 | 329.196962 | -0.0554 | -1 | 3 | 0.35 | 1.76 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H29NO6 | H | 342.192192 | 9625195 | 9625195.00 | 342.192211 | -0.0562 | -1 | 4 | 0.35 | 1.71 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H28N2O6 | H | 355.187435 | 5692331 | 5692331.00 | 355.187460 | -0.0709 | -1 | 5 | 0.35 | 1.65 | 0.118 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H22N2O6 | H | 349.140473 | 4710233 | 4710233.00 | 349.140510 | -0.1060 | -1 | 8 | 0.35 | 1.29 | 0.118 | 0.000 | 0.11 | CHON |
| 2015-05-05 | 2015-05-08 | C14H20O5 | H | 267.123809 | 14371373 | 14371373.00 | 267.123797 | 0.0438 | -1 | 5 | 0.36 | 1.43 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H22O5S | H | 301.111527 | 9851389 | 9851389.00 | 301.111518 | 0.0297 | -1 | 4 | 0.36 | 1.57 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H16O5 | H | 263.092505 | 6699002 | 6699002.00 | 263.092497 | 0.0298 | -1 | 7 | 0.36 | 1.14 | 0.000 | 0.000 | 0.22 | CHO |
| 2015-05-05 | 2015-05-08 | C14H24O5S | H | 303.127174 | 5793235 | 5793235.00 | 303.127168 | 0.0194 | -1 | 3 | 0.36 | 1.71 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H19NO5 | H | 280.119049 | 5170719 | 5170719.00 | 280.119046 | 0.0097 | -1 | 6 | 0.36 | 1.36 | 0.071 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C14H26O5S | H | 305.142819 | 13122038 | 13122038.00 | 305.142818 | 0.0027 | -1 | 2 | 0.36 | 1.86 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H22N2O5 | H | 297.145594 | 6335342 | 6335342.00 | 297.145595 | -0.0046 | -1 | 5 | 0.36 | 1.57 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H24O5 | H | 271.155095 | 30956456 | 30956456.00 | 271.155097 | -0.0090 | -1 | 3 | 0.36 | 1.71 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H18N2O5 | H | 293.114288 | 5424705 | 5424705.00 | 293.114295 | -0.0247 | -1 | 7 | 0.36 | 1.29 | 0.143 | 0.000 | 0.14 | CHON |
| 2015-05-05 | 2015-05-08 | C14H25NO5 | H | 286.165989 | 6258861 | 6258861.00 | 286.165996 | -0.0261 | -1 | 3 | 0.36 | 1.79 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H17NO5 | H | 278.103384 | 5164424 | 5164424.00 | 278.103396 | -0.0439 | -1 | 7 | 0.36 | 1.21 | 0.071 | 0.000 | 0.19 | CHON |
| 2015-05-05 | 2015-05-08 | C14H20O5S | H | 299.095854 | 5975676 | 5975676.00 | 299.095868 | -0.0468 | -1 | 5 | 0.36 | 1.43 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H20N2O5 | H | 295.129927 | 5189796 | 5189796.00 | 295.129945 | -0.0620 | -1 | 6 | 0.36 | 1.43 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H28O5S | H | 307.158428 | 11157090 | 11157090.00 | 307.158468 | -0.1310 | -1 | 1 | 0.36 | 2.00 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C22H38O8 | H | 429.249436 | 5472062 | 5472062.00 | 429.249392 | 0.1031 | -1 | 4 | 0.36 | 1.73 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H36O8 | H | 427.233758 | 7044408 | 7044408.00 | 427.233742 | 0.0382 | -1 | 5 | 0.36 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H20N2O4S2 | H | 307.079184 | 19365428 | 19365428.00 | 307.079172 | 0.0389 | -1 | 3 | 0.36 | 1.82 | 0.182 | 0.182 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C11H14O4S | H | 241.054014 | 4913124 | 4913124.00 | 241.054003 | 0.0449 | -1 | 5 | 0.36 | 1.27 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H22O4 | H | 217.144543 | 10808015 | 10808015.00 | 217.144533 | 0.0472 | -1 | 1 | 0.36 | 2.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H18O4 | H | 213.113240 | 13158712 | 13158712.00 | 213.113233 | 0.0347 | -1 | 3 | 0.36 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H11NO4 | H | 220.061538 | 4238619 | 4238619.00 | 220.061531 | 0.0300 | -1 | 7 | 0.36 | 1.00 | 0.091 | 0.000 | 0.42 | CHON |
| 2015-05-05 | 2015-05-08 | C11H12O4 | H | 207.066289 | 5411654 | 5411654.00 | 207.066282 | 0.0318 | -1 | 6 | 0.36 | 1.09 | 0.000 | 0.000 | 0.29 | CHO |
| 2015-05-05 | 2015-05-08 | C11H16O4S | H | 243.069659 | 11196003 | 11196003.00 | 243.069653 | 0.0237 | -1 | 4 | 0.36 | 1.45 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H17NO4 | H | 226.108487 | 6508920 | 6508920.00 | 226.108482 | 0.0239 | -1 | 4 | 0.36 | 1.55 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H20O4 | H | 215.128886 | 21194248 | 21194248.00 | 215.128883 | 0.0154 | -1 | 2 | 0.36 | 1.82 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C22H34O8 | H | 425.218094 | 5815099 | 5815099.00 | 425.218092 | 0.0056 | -1 | 6 | 0.36 | 1.55 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H13NO4 | H | 222.077183 | 7295364 | 7295364.00 | 222.077181 | 0.0069 | -1 | 6 | 0.36 | 1.18 | 0.091 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C11H10O4 | H | 205.050631 | 4956420 | 4956420.00 | 205.050632 | -0.0066 | -1 | 7 | 0.36 | 0.91 | 0.000 | 0.000 | 0.43 | CHO |
| 2015-05-05 | 2015-05-08 | C11H21NO4 | H | 230.139779 | 4303821 | 4303821.00 | 230.139782 | -0.0118 | -1 | 2 | 0.36 | 1.91 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H12N2O4 | H | 235.072427 | 4232223 | 4232223.00 | 235.072430 | -0.0146 | -1 | 7 | 0.36 | 1.09 | 0.182 | 0.000 | 0.40 | CHON |
| 2015-05-05 | 2015-05-08 | C11H16O4 | H | 211.097579 | 13104241 | 13104241.00 | 211.097583 | -0.0168 | -1 | 4 | 0.36 | 1.45 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H16N2O4 | H | 239.103724 | 4337893 | 4337893.00 | 239.103731 | -0.0274 | -1 | 5 | 0.36 | 1.45 | 0.182 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H15NO4 | H | 224.092822 | 5750185 | 5750185.00 | 224.092832 | -0.0425 | -1 | 5 | 0.36 | 1.36 | 0.091 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C11H19NO4 | H | 228.124118 | 6130911 | 6130911.00 | 228.124132 | -0.0598 | -1 | 3 | 0.36 | 1.73 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H30O7S | H | 401.164010 | 6141885 | 6141885.00 | 401.163948 | 0.1557 | -1 | 5 | 0.37 | 1.58 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H24O7 | H | 363.144964 | 5789817 | 5789817.00 | 363.144927 | 0.1028 | -1 | 8 | 0.37 | 1.26 | 0.000 | 0.000 | 0.08 | CHO |
| 2015-05-05 | 2015-05-08 | C19H32O7S | H | 403.179624 | 12142854 | 12142854.00 | 403.179598 | 0.0654 | -1 | 4 | 0.37 | 1.68 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H32O7 | H | 371.207549 | 16355898 | 16355898.00 | 371.207527 | 0.0595 | -1 | 4 | 0.37 | 1.68 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H38O7S | H | 409.226562 | 4918589 | 4918589.00 | 409.226548 | 0.0347 | -1 | 1 | 0.37 | 2.00 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H29NO7 | H | 382.187139 | 6863814 | 6863814.00 | 382.187126 | 0.0344 | -1 | 6 | 0.37 | 1.53 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H36O7S | H | 407.210908 | 5086147 | 5086147.00 | 407.210898 | 0.0252 | -1 | 2 | 0.37 | 1.89 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H28O7 | H | 367.176231 | 12430772 | 12430772.00 | 367.176227 | 0.0114 | -1 | 6 | 0.37 | 1.47 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H31NO7 | H | 384.202780 | 6225204 | 6225204.00 | 384.202776 | 0.0107 | -1 | 5 | 0.37 | 1.63 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H26O7 | H | 365.160580 | 9169711 | 9169711.00 | 365.160577 | 0.0089 | -1 | 7 | 0.37 | 1.37 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H30O7 | H | 369.191877 | 15634444 | 15634444.00 | 369.191877 | 0.0004 | -1 | 5 | 0.37 | 1.58 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H34O7 | H | 373.223169 | 15225921 | 15225921.00 | 373.223177 | -0.0214 | -1 | 3 | 0.37 | 1.79 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H34O7S | H | 405.195236 | 6769245 | 6769245.00 | 405.195248 | -0.0288 | -1 | 3 | 0.37 | 1.79 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H33NO7 | H | 386.218407 | 5291664 | 5291664.00 | 386.218426 | -0.0491 | -1 | 4 | 0.37 | 1.74 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H27NO7 | H | 380.171420 | 6318660 | 6318660.00 | 380.171476 | -0.1467 | -1 | 7 | 0.37 | 1.42 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H29NO6 | H | 330.192259 | 7740648 | 7740648.00 | 330.192211 | 0.1447 | -1 | 3 | 0.38 | 1.81 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H22N2O6 | H | 337.140548 | 7876803 | 7876803.00 | 337.140510 | 0.1127 | -1 | 7 | 0.38 | 1.38 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H23NO6 | H | 324.145281 | 8801109 | 8801109.00 | 324.145261 | 0.0616 | -1 | 6 | 0.38 | 1.44 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H31NO6S | H | 364.179943 | 5253604 | 5253604.00 | 364.179932 | 0.0303 | -1 | 2 | 0.38 | 1.94 | 0.063 | 0.063 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C16H22O6 | H | 309.134372 | 8651510 | 8651510.00 | 309.134362 | 0.0324 | -1 | 6 | 0.38 | 1.38 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H21NO6 | H | 322.129619 | 4722057 | 4722057.00 | 322.129611 | 0.0250 | -1 | 7 | 0.38 | 1.31 | 0.063 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C16H28O6 | H | 315.181319 | 37098048 | 42573619.00 | 315.181312 | 0.0216 | -1 | 3 | 0.38 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H33NO6S | H | 366.195585 | 13487232 | 13487232.00 | 366.195582 | 0.0081 | -1 | 1 | 0.38 | 2.06 | 0.063 | 0.063 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C8H11NO3 | H | 168.066616 | 4340578 | 4340578.00 | 168.066617 | -0.0046 | -1 | 4 | 0.38 | 1.38 | 0.125 | 0.000 | 0.13 | CHON |
| 2015-05-05 | 2015-05-08 | C8H15NO3 | H | 172.097916 | 95172840 | 102061279.00 | 172.097917 | -0.0052 | -1 | 2 | 0.38 | 1.88 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C8H14O3 | H | 157.087014 | 7451573 | 7451573.00 | 157.087018 | -0.0246 | -1 | 2 | 0.38 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H26O6S | H | 345.137727 | 7480808 | 7480808.00 | 345.137733 | -0.0168 | -1 | 4 | 0.38 | 1.63 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H24O6 | H | 311.150004 | 13338588 | 13338588.00 | 311.150012 | -0.0259 | -1 | 5 | 0.38 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H24N2O6 | H | 339.156142 | 5408337 | 5408337.00 | 339.156160 | -0.0533 | -1 | 6 | 0.38 | 1.50 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H26N2O6 | H | 341.171791 | 4869053 | 4869053.00 | 341.171810 | -0.0561 | -1 | 5 | 0.38 | 1.63 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H32O6S | H | 351.184662 | 15823817 | 15823817.00 | 351.184683 | -0.0598 | -1 | 1 | 0.38 | 2.00 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H30O6 | H | 317.196938 | 13391795 | 13391795.00 | 317.196962 | -0.0764 | -1 | 2 | 0.38 | 1.88 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H20O6 | H | 307.118684 | 4976203 | 4976203.00 | 307.118712 | -0.0909 | -1 | 7 | 0.38 | 1.25 | 0.000 | 0.000 | 0.10 | CHO |
| 2015-05-05 | 2015-05-08 | C16H28O6S | H | 347.153348 | 7133894 | 7133894.00 | 347.153383 | -0.1004 | -1 | 3 | 0.38 | 1.75 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H27NO6 | H | 328.176523 | 7149323 | 7149323.00 | 328.176561 | -0.1163 | -1 | 4 | 0.38 | 1.69 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C21H30O8 | H | 409.186825 | 5422390 | 5422390.00 | 409.186791 | 0.0819 | -1 | 7 | 0.38 | 1.43 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C21H32O8 | H | 411.202460 | 4796098 | 4796098.00 | 411.202442 | 0.0449 | -1 | 6 | 0.38 | 1.52 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C21H34O8 | H | 413.218108 | 7016544 | 7016544.00 | 413.218092 | 0.0396 | -1 | 5 | 0.38 | 1.62 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C21H36O8 | H | 415.233754 | 8507919 | 8507919.00 | 415.233742 | 0.0297 | -1 | 4 | 0.38 | 1.71 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H21NO5 | H | 270.134714 | 9911124 | 9911124.00 | 270.134696 | 0.0654 | -1 | 4 | 0.38 | 1.62 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H15NO5 | H | 264.087761 | 6103195 | 6103195.00 | 264.087746 | 0.0563 | -1 | 7 | 0.38 | 1.15 | 0.077 | 0.000 | 0.21 | CHON |
| 2015-05-05 | 2015-05-08 | C13H19NO5 | H | 268.119059 | 9005720 | 9005720.00 | 268.119046 | 0.0475 | -1 | 5 | 0.38 | 1.46 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H24O5 | H | 259.155106 | 38147276 | 43121285.00 | 259.155097 | 0.0331 | -1 | 2 | 0.38 | 1.85 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H17NO5 | H | 266.103404 | 7723443 | 7723443.00 | 266.103396 | 0.0293 | -1 | 6 | 0.38 | 1.31 | 0.077 | 0.000 | 0.07 | CHON |
| 2015-05-05 | 2015-05-08 | C13H20O5S | H | 287.095870 | 7926074 | 7926074.00 | 287.095868 | 0.0070 | -1 | 4 | 0.38 | 1.54 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H20N2O5 | H | 283.129947 | 4433717 | 4433717.00 | 283.129945 | 0.0060 | -1 | 5 | 0.38 | 1.54 | 0.154 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H23NO5 | H | 272.150348 | 7658483 | 7658483.00 | 272.150346 | 0.0059 | -1 | 3 | 0.38 | 1.77 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H20O5 | H | 255.123798 | 20729894 | 20729894.00 | 255.123797 | 0.0027 | -1 | 4 | 0.38 | 1.54 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H16O5 | H | 251.092497 | 8845758 | 8845758.00 | 251.092497 | -0.0007 | -1 | 6 | 0.38 | 1.23 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C13H22O5S | H | 289.111511 | 6498970 | 6498970.00 | 289.111518 | -0.0244 | -1 | 3 | 0.38 | 1.69 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H18N2O5 | H | 281.114287 | 5500531 | 5500531.00 | 281.114295 | -0.0293 | -1 | 6 | 0.38 | 1.38 | 0.154 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H24O5S | H | 291.127154 | 4713543 | 4713543.00 | 291.127168 | -0.0485 | -1 | 2 | 0.38 | 1.85 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H26O5S | H | 293.142800 | 9102921 | 9102921.00 | 293.142818 | -0.0620 | -1 | 1 | 0.38 | 2.00 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H31NO7S | H | 404.174892 | 4643246 | 4643246.00 | 404.174847 | 0.1123 | -1 | 4 | 0.39 | 1.72 | 0.056 | 0.056 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H27NO7 | H | 368.171504 | 8056546 | 8056546.00 | 368.171476 | 0.0767 | -1 | 6 | 0.39 | 1.50 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H32O7S | H | 391.179621 | 5792178 | 5792178.00 | 391.179598 | 0.0598 | -1 | 3 | 0.39 | 1.78 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H31NO7 | H | 372.202799 | 6316864 | 6316864.00 | 372.202776 | 0.0621 | -1 | 4 | 0.39 | 1.72 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H34O7S | H | 393.195260 | 6488810 | 6488810.00 | 393.195248 | 0.0313 | -1 | 2 | 0.39 | 1.89 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H30O7S | H | 389.163959 | 13574259 | 13574259.00 | 389.163948 | 0.0294 | -1 | 4 | 0.39 | 1.67 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H32O7 | H | 359.207537 | 17547924 | 17547924.00 | 359.207527 | 0.0280 | -1 | 3 | 0.39 | 1.78 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H29NO7 | H | 370.187128 | 7516453 | 7516453.00 | 370.187126 | 0.0058 | -1 | 5 | 0.39 | 1.61 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H28O7 | H | 355.176228 | 16546726 | 16546726.00 | 355.176227 | 0.0034 | -1 | 5 | 0.39 | 1.56 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H34O7 | H | 361.223170 | 6473139 | 6473139.00 | 361.223177 | -0.0194 | -1 | 2 | 0.39 | 1.89 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H25NO7 | H | 366.155815 | 6253684 | 6253684.00 | 366.155826 | -0.0293 | -1 | 7 | 0.39 | 1.39 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H30O7 | H | 357.191863 | 17710908 | 17710908.00 | 357.191877 | -0.0388 | -1 | 4 | 0.39 | 1.67 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H26O7 | H | 353.160561 | 11737038 | 11737038.00 | 353.160577 | -0.0446 | -1 | 6 | 0.39 | 1.44 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H24O7 | H | 351.144903 | 8655795 | 8655795.00 | 351.144927 | -0.0674 | -1 | 7 | 0.39 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H26N2O7 | H | 381.166689 | 4674310 | 4674310.00 | 381.166725 | -0.0938 | -1 | 7 | 0.39 | 1.44 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H36O7S | H | 395.210819 | 5514271 | 5514271.00 | 395.210898 | -0.1993 | -1 | 1 | 0.39 | 2.00 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C20H27NO8 | H | 408.166429 | 11832436 | 11832436.00 | 408.166390 | 0.0946 | -1 | 8 | 0.40 | 1.35 | 0.050 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H28O8 | H | 395.171172 | 5858329 | 5858329.00 | 395.171141 | 0.0774 | -1 | 7 | 0.40 | 1.40 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H34O8 | H | 401.218117 | 10921926 | 10921926.00 | 401.218092 | 0.0633 | -1 | 4 | 0.40 | 1.70 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H32O8 | H | 399.202466 | 8545926 | 8545926.00 | 399.202442 | 0.0612 | -1 | 5 | 0.40 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H26O6S | H | 333.137753 | 10118508 | 10118508.00 | 333.137733 | 0.0606 | -1 | 3 | 0.40 | 1.73 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H21NO6 | H | 310.129626 | 6808923 | 6808923.00 | 310.129611 | 0.0485 | -1 | 6 | 0.40 | 1.40 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C20H30O8 | H | 397.186806 | 6706510 | 6706510.00 | 397.186791 | 0.0365 | -1 | 6 | 0.40 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H24O6S | H | 331.122097 | 23429018 | 27230046.50 | 331.122083 | 0.0431 | -1 | 4 | 0.40 | 1.60 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H30O6S | H | 337.169047 | 16339159 | 16339159.00 | 337.169033 | 0.0417 | -1 | 1 | 0.40 | 2.00 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H28O6 | H | 303.181326 | 11204078 | 11204078.00 | 303.181312 | 0.0456 | -1 | 2 | 0.40 | 1.87 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H34O8S | H | 433.190173 | 4932426 | 4932426.00 | 433.190162 | 0.0247 | -1 | 4 | 0.40 | 1.70 | 0.000 | 0.050 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H12O4 | H | 195.066292 | 5863986 | 5863986.00 | 195.066282 | 0.0491 | -1 | 5 | 0.40 | 1.20 | 0.000 | 0.000 | 0.17 | CHO |
| 2015-05-05 | 2015-05-08 | C15H19NO6 | H | 308.113970 | 4608145 | 4608145.00 | 308.113961 | 0.0295 | -1 | 7 | 0.40 | 1.27 | 0.067 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C10H14O4S | H | 229.054011 | 7320058 | 7320058.00 | 229.054003 | 0.0342 | -1 | 4 | 0.40 | 1.40 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H18O4 | H | 201.113239 | 20234248 | 20234248.00 | 201.113233 | 0.0318 | -1 | 2 | 0.40 | 1.80 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H20O4 | H | 203.128887 | 5092254 | 5092254.00 | 203.128883 | 0.0213 | -1 | 1 | 0.40 | 2.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H12N2O4 | H | 223.072434 | 6375309 | 6375309.00 | 223.072430 | 0.0160 | -1 | 6 | 0.40 | 1.20 | 0.200 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C10H15NO4 | H | 212.092835 | 7514814 | 7514814.00 | 212.092832 | 0.0164 | -1 | 4 | 0.40 | 1.50 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H16O4 | H | 199.097586 | 17493218 | 17493218.00 | 199.097583 | 0.0173 | -1 | 3 | 0.40 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H11NO4 | H | 208.061534 | 4242795 | 4242795.00 | 208.061531 | 0.0125 | -1 | 6 | 0.40 | 1.10 | 0.100 | 0.000 | 0.30 | CHON |
| 2015-05-05 | 2015-05-08 | C15H20O6 | H | 295.118714 | 8956065 | 8956065.00 | 295.118712 | 0.0070 | -1 | 6 | 0.40 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H24N2O6 | H | 327.156162 | 4547602 | 4547602.00 | 327.156160 | 0.0059 | -1 | 5 | 0.40 | 1.60 | 0.133 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H17NO6 | H | 306.098312 | 4942854 | 4942854.00 | 306.098311 | 0.0038 | -1 | 8 | 0.40 | 1.13 | 0.067 | 0.000 | 0.19 | CHON |
| 2015-05-05 | 2015-05-08 | C10H10O4 | H | 193.050632 | 4000458 | 4000458.00 | 193.050632 | -0.0019 | -1 | 6 | 0.40 | 1.00 | 0.000 | 0.000 | 0.33 | CHO |
| 2015-05-05 | 2015-05-08 | C10H18O4S | H | 233.085302 | 6356679 | 6356679.00 | 233.085303 | -0.0056 | -1 | 2 | 0.40 | 1.80 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H13NO4 | H | 210.077180 | 8646146 | 8646146.00 | 210.077181 | -0.0069 | -1 | 5 | 0.40 | 1.30 | 0.100 | 0.000 | 0.10 | CHON |
| 2015-05-05 | 2015-05-08 | C10H14O4 | H | 197.081929 | 13886016 | 13886016.00 | 197.081932 | -0.0177 | -1 | 4 | 0.40 | 1.40 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H27NO6 | H | 316.176557 | 7070957 | 7070957.00 | 316.176561 | -0.0131 | -1 | 3 | 0.40 | 1.80 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H22N2O6 | H | 325.140503 | 4996662 | 4996662.00 | 325.140510 | -0.0215 | -1 | 6 | 0.40 | 1.47 | 0.133 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H17NO4 | H | 214.108474 | 7182219 | 7182219.00 | 214.108482 | -0.0354 | -1 | 3 | 0.40 | 1.70 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H14N2O4 | H | 225.088071 | 6558601 | 6558601.00 | 225.088080 | -0.0422 | -1 | 5 | 0.40 | 1.40 | 0.200 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H26O6 | H | 301.165648 | 34681368 | 40307931.96 | 301.165662 | -0.0469 | -1 | 3 | 0.40 | 1.73 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H36O8 | H | 403.233721 | 6609167 | 6609167.00 | 403.233742 | -0.0513 | -1 | 3 | 0.40 | 1.80 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H28O6S | H | 335.153354 | 8403757 | 8403757.00 | 335.153383 | -0.0861 | -1 | 2 | 0.40 | 1.87 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H24O6 | H | 299.149982 | 21606034 | 21606034.00 | 299.150012 | -0.1005 | -1 | 4 | 0.40 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H23NO6 | H | 312.145219 | 7809628 | 7809628.00 | 312.145261 | -0.1346 | -1 | 5 | 0.40 | 1.53 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C22H36O9 | H | 443.228685 | 5590513 | 5590513.00 | 443.228656 | 0.0647 | -1 | 5 | 0.41 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H22O7 | H | 337.129307 | 8233147 | 8233147.00 | 337.129277 | 0.0901 | -1 | 7 | 0.41 | 1.29 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H29NO7 | H | 358.187154 | 6652139 | 6652139.00 | 358.187126 | 0.0786 | -1 | 4 | 0.41 | 1.71 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H32O7S | H | 379.179623 | 7498109 | 7498109.00 | 379.179598 | 0.0669 | -1 | 2 | 0.41 | 1.88 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H26O7 | H | 341.160595 | 19274676 | 19274676.00 | 341.160577 | 0.0535 | -1 | 5 | 0.41 | 1.53 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H32O7 | H | 347.207544 | 8440551 | 8440551.00 | 347.207527 | 0.0492 | -1 | 2 | 0.41 | 1.88 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H34O7S | H | 381.195262 | 8796939 | 8796939.00 | 381.195248 | 0.0376 | -1 | 1 | 0.41 | 2.00 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H28O7 | H | 343.176234 | 20324600 | 20324600.00 | 343.176227 | 0.0210 | -1 | 4 | 0.41 | 1.65 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H21NO7 | H | 350.124527 | 5083525 | 5083525.00 | 350.124526 | 0.0041 | -1 | 8 | 0.41 | 1.24 | 0.059 | 0.000 | 0.06 | CHON |
| 2015-05-05 | 2015-05-08 | C17H27NO7 | H | 356.171470 | 9321843 | 9321843.00 | 356.171476 | -0.0162 | -1 | 5 | 0.41 | 1.59 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H29NO7S | H | 390.159189 | 43606288 | 50610879.00 | 390.159197 | -0.0193 | -1 | 4 | 0.41 | 1.71 | 0.059 | 0.059 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C17H28O7S | H | 375.148289 | 5359120 | 5359120.00 | 375.148297 | -0.0226 | -1 | 4 | 0.41 | 1.65 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H30O7S | H | 377.163935 | 4626389 | 4626389.00 | 377.163948 | -0.0333 | -1 | 3 | 0.41 | 1.76 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H24O7 | H | 339.144910 | 16569929 | 16569929.00 | 339.144927 | -0.0492 | -1 | 6 | 0.41 | 1.41 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H25NO7 | H | 354.155801 | 8559036 | 8559036.00 | 354.155826 | -0.0698 | -1 | 6 | 0.41 | 1.47 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H30O7 | H | 345.191852 | 15394314 | 15394314.00 | 345.191877 | -0.0720 | -1 | 3 | 0.41 | 1.76 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H20O7 | H | 335.113600 | 4735760 | 4735760.00 | 335.113627 | -0.0792 | -1 | 8 | 0.41 | 1.18 | 0.000 | 0.000 | 0.10 | CHO |
| 2015-05-05 | 2015-05-08 | C17H23NO7 | H | 352.140137 | 5662147 | 5662147.00 | 352.140176 | -0.1097 | -1 | 7 | 0.41 | 1.35 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H15NO5 | H | 252.087763 | 5364610 | 5364610.00 | 252.087746 | 0.0669 | -1 | 6 | 0.42 | 1.25 | 0.083 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C12H14O5 | H | 237.076860 | 5228761 | 5228761.00 | 237.076847 | 0.0544 | -1 | 6 | 0.42 | 1.17 | 0.000 | 0.000 | 0.14 | CHO |
| 2015-05-05 | 2015-05-08 | C12H18O5 | H | 241.108159 | 15749138 | 15749138.00 | 241.108147 | 0.0488 | -1 | 4 | 0.42 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H17NO5 | H | 254.103402 | 8564405 | 8564405.00 | 254.103396 | 0.0228 | -1 | 5 | 0.42 | 1.42 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H19NO5 | H | 256.119051 | 8786290 | 8786290.00 | 256.119046 | 0.0185 | -1 | 4 | 0.42 | 1.58 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H16O5 | H | 239.092501 | 13277402 | 13277402.00 | 239.092497 | 0.0160 | -1 | 5 | 0.42 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H21NO5 | H | 258.134699 | 5579716 | 5579716.00 | 258.134696 | 0.0103 | -1 | 3 | 0.42 | 1.75 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H24O5S | H | 279.127168 | 9145810 | 9145810.00 | 279.127168 | -0.0004 | -1 | 1 | 0.42 | 2.00 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H25NO5S | H | 294.138067 | 20572010 | 20572010.00 | 294.138067 | -0.0005 | -1 | 1 | 0.42 | 2.08 | 0.083 | 0.083 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C12H20O5 | H | 243.123795 | 21689996 | 21689996.00 | 243.123797 | -0.0095 | -1 | 3 | 0.42 | 1.67 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H22O5S | H | 277.111506 | 5072195 | 5072195.00 | 277.111518 | -0.0435 | -1 | 2 | 0.42 | 1.83 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H16N2O5 | H | 267.098629 | 5083690 | 5083690.00 | 267.098645 | -0.0606 | -1 | 6 | 0.42 | 1.33 | 0.167 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H36O8S | H | 423.205850 | 5884233 | 5884233.00 | 423.205812 | 0.0889 | -1 | 2 | 0.42 | 1.89 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H32O8 | H | 387.202460 | 11861812 | 11861812.00 | 387.202442 | 0.0476 | -1 | 4 | 0.42 | 1.68 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H29NO8 | H | 398.182056 | 4838888 | 4838888.00 | 398.182040 | 0.0390 | -1 | 6 | 0.42 | 1.53 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H31NO8 | H | 400.197704 | 4728611 | 4728611.00 | 400.197691 | 0.0337 | -1 | 5 | 0.42 | 1.63 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C19H32O8S | H | 419.174524 | 5330311 | 5330311.00 | 419.174512 | 0.0281 | -1 | 4 | 0.42 | 1.68 | 0.000 | 0.053 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C19H30O8 | H | 385.186802 | 12615136 | 12615136.00 | 385.186791 | 0.0273 | -1 | 5 | 0.42 | 1.58 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H34O8 | H | 389.218093 | 8339580 | 8339580.00 | 389.218092 | 0.0036 | -1 | 3 | 0.42 | 1.79 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H28O8 | H | 383.171141 | 10476667 | 10476667.00 | 383.171141 | -0.0011 | -1 | 6 | 0.42 | 1.47 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H26O8 | H | 381.155485 | 6519556 | 6519556.00 | 381.155491 | -0.0167 | -1 | 7 | 0.42 | 1.37 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H27NO8 | H | 396.166349 | 6350001 | 6350001.00 | 396.166390 | -0.1045 | -1 | 7 | 0.42 | 1.42 | 0.053 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H22O6S | H | 317.106481 | 6223732 | 6223732.00 | 317.106433 | 0.1524 | -1 | 4 | 0.43 | 1.57 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C21H34O9 | H | 429.213039 | 5189429 | 5189429.00 | 429.213006 | 0.0763 | -1 | 5 | 0.43 | 1.62 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H19NO6 | H | 296.113985 | 7318004 | 7318004.00 | 296.113961 | 0.0814 | -1 | 6 | 0.43 | 1.36 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H26O6 | H | 289.165679 | 13771429 | 13771429.00 | 289.165662 | 0.0584 | -1 | 2 | 0.43 | 1.86 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H17NO6 | H | 294.098327 | 5916511 | 5916511.00 | 294.098311 | 0.0550 | -1 | 7 | 0.43 | 1.21 | 0.071 | 0.000 | 0.07 | CHON |
| 2015-05-05 | 2015-05-08 | C21H32O9 | H | 427.197371 | 5504302 | 5504302.00 | 427.197356 | 0.0347 | -1 | 6 | 0.43 | 1.52 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H16O6 | H | 279.087418 | 4394447 | 4394447.00 | 279.087412 | 0.0222 | -1 | 7 | 0.43 | 1.14 | 0.000 | 0.000 | 0.13 | CHO |
| 2015-05-05 | 2015-05-08 | C14H24O6 | H | 287.150017 | 49291588 | 56226606.00 | 287.150012 | 0.0172 | -1 | 3 | 0.43 | 1.71 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H28O6S | H | 323.153386 | 9074808 | 9074808.00 | 323.153383 | 0.0097 | -1 | 1 | 0.43 | 2.00 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H18N2O6 | H | 309.109211 | 4801255 | 4801255.00 | 309.109210 | 0.0037 | -1 | 7 | 0.43 | 1.29 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H20N2O6 | H | 311.124860 | 5982157 | 5982157.00 | 311.124860 | 0.0002 | -1 | 6 | 0.43 | 1.43 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H18O6 | H | 281.103057 | 6682226 | 6682226.00 | 281.103062 | -0.0173 | -1 | 6 | 0.43 | 1.29 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H26O6S | H | 321.137724 | 9626293 | 9626293.00 | 321.137733 | -0.0274 | -1 | 2 | 0.43 | 1.86 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H24O6S | H | 319.122068 | 6835463 | 6835463.00 | 319.122083 | -0.0462 | -1 | 3 | 0.43 | 1.71 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H22N2O6 | H | 313.140494 | 5037287 | 5037287.00 | 313.140510 | -0.0511 | -1 | 5 | 0.43 | 1.57 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H25NO6 | H | 302.160885 | 6689778 | 6689778.00 | 302.160911 | -0.0863 | -1 | 3 | 0.43 | 1.79 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C23H9NO10 | H | 458.015281 | 6831516 | 6831516.00 | 458.015369 | -0.1923 | -1 | 20 | 0.43 | 0.39 | 0.043 | 0.000 | 0.79 | CHON |
| 2015-05-05 | 2015-05-08 | C16H28O7 | H | 331.176255 | 14016451 | 14016451.00 | 331.176227 | 0.0851 | -1 | 3 | 0.44 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H30O7 | H | 333.191901 | 5805460 | 5805460.00 | 333.191877 | 0.0724 | -1 | 2 | 0.44 | 1.88 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H21NO7 | H | 338.124544 | 6861693 | 6861693.00 | 338.124526 | 0.0545 | -1 | 7 | 0.44 | 1.31 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H32O7S | H | 367.179608 | 7155125 | 7155125.00 | 367.179598 | 0.0283 | -1 | 1 | 0.44 | 2.00 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H28O7S | H | 363.148307 | 13789306 | 13789306.00 | 363.148297 | 0.0262 | -1 | 3 | 0.44 | 1.75 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H25NO7 | H | 342.155831 | 8502867 | 8502867.00 | 342.155826 | 0.0155 | -1 | 5 | 0.44 | 1.56 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H27NO7 | H | 344.171477 | 5989247 | 5989247.00 | 344.171476 | 0.0036 | -1 | 4 | 0.44 | 1.69 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H20O7 | H | 323.113626 | 4802651 | 4802651.00 | 323.113627 | -0.0017 | -1 | 7 | 0.44 | 1.25 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H22O7 | H | 325.129275 | 11161134 | 11161134.00 | 325.129277 | -0.0049 | -1 | 6 | 0.44 | 1.38 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H23NO7 | H | 340.140173 | 6908155 | 6908155.00 | 340.140176 | -0.0078 | -1 | 6 | 0.44 | 1.44 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H22N2O7 | H | 353.135409 | 5273538 | 5273538.00 | 353.135425 | -0.0442 | -1 | 7 | 0.44 | 1.38 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H30O7S | H | 365.163928 | 9087792 | 9087792.00 | 365.163948 | -0.0536 | -1 | 2 | 0.44 | 1.88 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H24O7 | H | 327.144899 | 14316553 | 14316553.00 | 327.144927 | -0.0846 | -1 | 5 | 0.44 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H26O7 | H | 329.160547 | 16300520 | 16300520.00 | 329.160577 | -0.0903 | -1 | 4 | 0.44 | 1.63 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H16N2O4S2 | H | 279.047926 | 15171020 | 15171020.00 | 279.047872 | 0.1937 | -1 | 3 | 0.44 | 1.78 | 0.222 | 0.222 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H34O8S | H | 409.190196 | 4631862 | 4631862.00 | 409.190162 | 0.0823 | -1 | 2 | 0.44 | 1.89 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H28O8 | H | 371.171175 | 8516145 | 8516145.00 | 371.171141 | 0.0905 | -1 | 5 | 0.44 | 1.56 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H10O4 | H | 181.050653 | 3829239 | 3829239.00 | 181.050632 | 0.1140 | -1 | 5 | 0.44 | 1.11 | 0.000 | 0.000 | 0.20 | CHO |
| 2015-05-05 | 2015-05-08 | C18H30O8S | H | 405.158881 | 11889238 | 11889238.00 | 405.158862 | 0.0465 | -1 | 4 | 0.44 | 1.67 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H25NO8 | H | 382.150754 | 4922304 | 4922304.00 | 382.150740 | 0.0358 | -1 | 7 | 0.44 | 1.39 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H28O8S | H | 403.143214 | 5298432 | 5298432.00 | 403.143212 | 0.0047 | -1 | 5 | 0.44 | 1.56 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H11NO4 | H | 196.061533 | 4984085 | 4984085.00 | 196.061531 | 0.0082 | -1 | 5 | 0.44 | 1.22 | 0.111 | 0.000 | 0.13 | CHON |
| 2015-05-05 | 2015-05-08 | C9H13NO4 | H | 198.077183 | 4915055 | 4915055.00 | 198.077181 | 0.0078 | -1 | 4 | 0.44 | 1.44 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H14O4 | H | 185.081934 | 13700424 | 13700424.00 | 185.081932 | 0.0082 | -1 | 3 | 0.44 | 1.56 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H12O4 | H | 183.066283 | 9725464 | 9725464.00 | 183.066282 | 0.0032 | -1 | 4 | 0.44 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H32O8S | H | 407.174512 | 4869053 | 4869053.00 | 407.174512 | -0.0006 | -1 | 3 | 0.44 | 1.78 | 0.000 | 0.056 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C18H32O8 | H | 375.202441 | 8795677 | 8795677.00 | 375.202442 | -0.0015 | -1 | 3 | 0.44 | 1.78 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H29NO8 | H | 386.182039 | 5164682 | 5164682.00 | 386.182040 | -0.0038 | -1 | 5 | 0.44 | 1.61 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H26O8 | H | 369.155489 | 11276290 | 11276290.00 | 369.155491 | -0.0064 | -1 | 6 | 0.44 | 1.44 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H27NO8 | H | 384.166387 | 5274926 | 5274926.00 | 384.166390 | -0.0088 | -1 | 6 | 0.44 | 1.50 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H12N2O4 | H | 211.072425 | 4211785 | 4211785.00 | 211.072430 | -0.0257 | -1 | 5 | 0.44 | 1.33 | 0.222 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H15NO4 | H | 200.092826 | 5435476 | 5435476.00 | 200.092832 | -0.0276 | -1 | 3 | 0.44 | 1.67 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H8O4 | H | 179.034975 | 5574373 | 5574373.00 | 179.034982 | -0.0407 | -1 | 6 | 0.44 | 0.89 | 0.000 | 0.000 | 0.40 | CHO |
| 2015-05-05 | 2015-05-08 | C9H12O4S | H | 215.038345 | 4045684 | 4045684.00 | 215.038353 | -0.0377 | -1 | 4 | 0.44 | 1.33 | 0.000 | 0.111 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H18O4 | H | 189.113224 | 4940940 | 4940940.00 | 189.113233 | -0.0455 | -1 | 1 | 0.44 | 2.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H19NO4S | H | 236.096192 | 849763520 | 955720858.00 | 236.096202 | -0.0438 | -1 | 1 | 0.44 | 2.11 | 0.111 | 0.111 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C18H24O8 | H | 367.139815 | 7286185 | 7286185.00 | 367.139841 | -0.0716 | -1 | 7 | 0.44 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H30O8 | H | 373.186759 | 12366904 | 12366904.00 | 373.186791 | -0.0871 | -1 | 4 | 0.44 | 1.67 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H30O9 | H | 413.181781 | 6692953 | 6692953.00 | 413.181706 | 0.1813 | -1 | 6 | 0.45 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H34O9 | H | 417.213061 | 5309382 | 5309382.00 | 417.213006 | 0.1313 | -1 | 4 | 0.45 | 1.70 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H28O9 | H | 411.166084 | 4804283 | 4804283.00 | 411.166056 | 0.0680 | -1 | 7 | 0.45 | 1.40 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C20H32O9 | H | 415.197366 | 5480968 | 5480968.00 | 415.197356 | 0.0237 | -1 | 5 | 0.45 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H12N2O5 | H | 251.067373 | 4189618 | 4189618.00 | 251.067345 | 0.1113 | -1 | 7 | 0.45 | 1.09 | 0.182 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C11H23NO5S | H | 280.122432 | 25796128 | 25796128.00 | 280.122417 | 0.0532 | -1 | 1 | 0.45 | 2.09 | 0.091 | 0.091 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C11H19NO5 | H | 244.119054 | 6263165 | 6263165.00 | 244.119046 | 0.0317 | -1 | 3 | 0.45 | 1.73 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H16O5 | H | 227.092501 | 17850134 | 17850134.00 | 227.092497 | 0.0169 | -1 | 4 | 0.45 | 1.45 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H20O5 | H | 231.123800 | 27862256 | 27862256.00 | 231.123797 | 0.0117 | -1 | 2 | 0.45 | 1.82 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H13NO5 | H | 238.072097 | 12821734 | 12821734.00 | 238.072096 | 0.0039 | -1 | 6 | 0.45 | 1.18 | 0.091 | 0.000 | 0.10 | CHON |
| 2015-05-05 | 2015-05-08 | C11H11NO5 | H | 236.056442 | 4121727 | 4121727.00 | 236.056446 | -0.0170 | -1 | 7 | 0.45 | 1.00 | 0.091 | 0.000 | 0.30 | CHON |
| 2015-05-05 | 2015-05-08 | C11H14O5 | H | 225.076843 | 8219513 | 8219513.00 | 225.076847 | -0.0183 | -1 | 5 | 0.45 | 1.27 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H15NO5 | H | 240.087739 | 7142531 | 7142531.00 | 240.087746 | -0.0298 | -1 | 5 | 0.45 | 1.36 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H22O5S | H | 265.111510 | 6033712 | 6033712.00 | 265.111518 | -0.0304 | -1 | 1 | 0.45 | 2.00 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H18O5 | H | 229.108139 | 21015108 | 21015108.00 | 229.108147 | -0.0359 | -1 | 3 | 0.45 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H21NO5 | H | 246.134688 | 4906737 | 4906737.00 | 246.134696 | -0.0339 | -1 | 2 | 0.45 | 1.91 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H12O5 | H | 223.061188 | 5011324 | 5011324.00 | 223.061197 | -0.0405 | -1 | 6 | 0.45 | 1.09 | 0.000 | 0.000 | 0.17 | CHO |
| 2015-05-05 | 2015-05-08 | C11H16N2O5 | H | 255.098635 | 5193757 | 5193757.00 | 255.098645 | -0.0399 | -1 | 5 | 0.45 | 1.45 | 0.182 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H17NO5 | H | 242.103385 | 7639901 | 7639901.00 | 242.103396 | -0.0463 | -1 | 4 | 0.45 | 1.55 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H18N2O5 | H | 257.114282 | 4588196 | 4588196.00 | 257.114295 | -0.0515 | -1 | 4 | 0.45 | 1.64 | 0.182 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H17NO6 | H | 282.098331 | 8888013 | 8888013.00 | 282.098311 | 0.0715 | -1 | 6 | 0.46 | 1.31 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H24O6 | H | 275.150025 | 16940224 | 16940224.00 | 275.150012 | 0.0471 | -1 | 2 | 0.46 | 1.85 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H18O6 | H | 269.103074 | 13302520 | 13302520.00 | 269.103062 | 0.0451 | -1 | 5 | 0.46 | 1.38 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H22O6S | H | 305.106441 | 5671395 | 5671395.00 | 305.106433 | 0.0273 | -1 | 3 | 0.46 | 1.69 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H21NO6 | H | 286.129619 | 10055848 | 10055848.00 | 286.129611 | 0.0281 | -1 | 4 | 0.46 | 1.62 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H15NO6 | H | 280.082668 | 5484060 | 5484060.00 | 280.082661 | 0.0258 | -1 | 7 | 0.46 | 1.15 | 0.077 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C13H26O6S | H | 309.137739 | 8344312 | 8344312.00 | 309.137733 | 0.0200 | -1 | 1 | 0.46 | 2.00 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H20O6 | H | 271.118718 | 24353700 | 24353700.00 | 271.118712 | 0.0224 | -1 | 4 | 0.46 | 1.54 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H16O6 | H | 267.087407 | 8362537 | 8362537.00 | 267.087412 | -0.0179 | -1 | 6 | 0.46 | 1.23 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H23NO6 | H | 288.145254 | 7279081 | 7279081.00 | 288.145261 | -0.0244 | -1 | 3 | 0.46 | 1.77 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H20N2O6 | H | 299.124841 | 4673160 | 4673160.00 | 299.124860 | -0.0633 | -1 | 5 | 0.46 | 1.54 | 0.154 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H18N2O6 | H | 297.109190 | 5018464 | 5018464.00 | 297.109210 | -0.0669 | -1 | 6 | 0.46 | 1.38 | 0.154 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H19NO6 | H | 284.113928 | 7980963 | 7980963.00 | 284.113961 | -0.1158 | -1 | 5 | 0.46 | 1.46 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H25NO7 | H | 330.155865 | 7601357 | 7601357.00 | 330.155826 | 0.1190 | -1 | 4 | 0.47 | 1.67 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H24N2O7 | H | 343.151110 | 4915431 | 4915431.00 | 343.151075 | 0.1029 | -1 | 5 | 0.47 | 1.60 | 0.133 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H18N2O7 | H | 337.104147 | 5001385 | 5001385.00 | 337.104124 | 0.0668 | -1 | 8 | 0.47 | 1.20 | 0.133 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H20O7 | H | 311.113649 | 7444422 | 7444422.00 | 311.113627 | 0.0722 | -1 | 6 | 0.47 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H19NO7 | H | 324.108894 | 4582202 | 4582202.00 | 324.108876 | 0.0570 | -1 | 7 | 0.47 | 1.27 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H21NO7 | H | 326.124537 | 6340882 | 6340882.00 | 326.124526 | 0.0350 | -1 | 6 | 0.47 | 1.40 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H18O7 | H | 309.097983 | 5620448 | 5620448.00 | 309.097976 | 0.0211 | -1 | 7 | 0.47 | 1.20 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H28O7S | H | 351.148304 | 7254965 | 7254965.00 | 351.148297 | 0.0185 | -1 | 2 | 0.47 | 1.87 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H29NO7S | H | 366.159202 | 5123189 | 5123189.00 | 366.159197 | 0.0149 | -1 | 2 | 0.47 | 1.93 | 0.067 | 0.067 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C15H24O7 | H | 315.144912 | 14668329 | 14668329.00 | 315.144927 | -0.0466 | -1 | 4 | 0.47 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H24O7S | H | 347.116980 | 32500400 | 37773132.59 | 347.116997 | -0.0500 | -1 | 4 | 0.47 | 1.60 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H23NO7 | H | 328.140155 | 9983727 | 9983727.00 | 328.140176 | -0.0629 | -1 | 5 | 0.47 | 1.53 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H28O7 | H | 319.176206 | 5844269 | 5844269.00 | 319.176227 | -0.0652 | -1 | 2 | 0.47 | 1.87 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H26O7S | H | 349.132624 | 12250964 | 12250964.00 | 349.132647 | -0.0671 | -1 | 3 | 0.47 | 1.73 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H30O7S | H | 353.163916 | 7202768 | 7202768.00 | 353.163948 | -0.0894 | -1 | 1 | 0.47 | 2.00 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H26O7 | H | 317.160543 | 12244890 | 12244890.00 | 317.160577 | -0.1064 | -1 | 3 | 0.47 | 1.73 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H27NO8 | H | 372.166412 | 6767414 | 6767414.00 | 372.166390 | 0.0580 | -1 | 5 | 0.47 | 1.59 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H26O8 | H | 357.155508 | 14130988 | 14130988.00 | 357.155491 | 0.0466 | -1 | 5 | 0.47 | 1.53 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H23NO8 | H | 368.135104 | 5500631 | 5500631.00 | 368.135090 | 0.0373 | -1 | 7 | 0.47 | 1.35 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H28O8 | H | 359.171153 | 11027078 | 11027078.00 | 359.171141 | 0.0322 | -1 | 4 | 0.47 | 1.65 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H29NO8 | H | 374.182047 | 4973868 | 4973868.00 | 374.182040 | 0.0175 | -1 | 4 | 0.47 | 1.71 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H24O8 | H | 355.139836 | 10165140 | 10165140.00 | 355.139841 | -0.0149 | -1 | 6 | 0.47 | 1.41 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H22O8 | H | 353.124185 | 5814204 | 5814204.00 | 353.124191 | -0.0176 | -1 | 7 | 0.47 | 1.29 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H28O8S | H | 391.143205 | 14737836 | 14737836.00 | 391.143212 | -0.0182 | -1 | 4 | 0.47 | 1.65 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H32O8S | H | 395.174499 | 8258585 | 8258585.00 | 395.174512 | -0.0335 | -1 | 2 | 0.47 | 1.88 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H25NO8 | H | 370.150726 | 6238491 | 6238491.00 | 370.150740 | -0.0387 | -1 | 6 | 0.47 | 1.47 | 0.059 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H30O8 | H | 361.186754 | 6440357 | 6440357.00 | 361.186791 | -0.1038 | -1 | 3 | 0.47 | 1.76 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H29NO8S | H | 406.154048 | 5548805 | 5548805.00 | 406.154111 | -0.1555 | -1 | 4 | 0.47 | 1.71 | 0.059 | 0.059 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C19H30O9 | H | 401.181730 | 7497664 | 7497664.00 | 401.181706 | 0.0595 | -1 | 5 | 0.47 | 1.58 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H26O9 | H | 397.150419 | 4629832 | 4629832.00 | 397.150406 | 0.0328 | -1 | 7 | 0.47 | 1.37 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H32O9 | H | 403.197342 | 5019913 | 5019913.00 | 403.197356 | -0.0352 | -1 | 4 | 0.47 | 1.68 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C19H28O9 | H | 399.166029 | 6829697 | 6829697.00 | 399.166056 | -0.0678 | -1 | 6 | 0.47 | 1.47 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H29NO9 | H | 402.177010 | 4925537 | 4925537.00 | 402.176955 | 0.1365 | -1 | 5 | 0.50 | 1.61 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H26O7S | H | 337.132676 | 8442045 | 8442045.00 | 337.132647 | 0.0848 | -1 | 2 | 0.50 | 1.86 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H25NO8 | H | 358.150768 | 7434459 | 7434459.00 | 358.150740 | 0.0773 | -1 | 5 | 0.50 | 1.56 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H26O9 | H | 385.150431 | 5828058 | 5828058.00 | 385.150406 | 0.0650 | -1 | 6 | 0.50 | 1.44 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H17NO7 | H | 310.093247 | 4738372 | 4738372.00 | 310.093225 | 0.0695 | -1 | 7 | 0.50 | 1.21 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H15NO6 | H | 268.082681 | 5921428 | 5921428.00 | 268.082661 | 0.0755 | -1 | 6 | 0.50 | 1.25 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H27NO9 | H | 400.161324 | 4622110 | 4622110.00 | 400.161305 | 0.0474 | -1 | 6 | 0.50 | 1.50 | 0.056 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C18H24O9 | H | 383.134774 | 5995637 | 5995637.00 | 383.134756 | 0.0472 | -1 | 7 | 0.50 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H18O5S | H | 249.080234 | 22054344 | 22054344.00 | 249.080218 | 0.0645 | -1 | 2 | 0.50 | 1.80 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H16O6 | H | 255.087426 | 12038169 | 12038169.00 | 255.087412 | 0.0557 | -1 | 5 | 0.50 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H18N2O6 | H | 285.109223 | 4605981 | 4605981.00 | 285.109210 | 0.0461 | -1 | 5 | 0.50 | 1.50 | 0.167 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H21NO6 | H | 274.129624 | 7691389 | 7691389.00 | 274.129611 | 0.0476 | -1 | 3 | 0.50 | 1.75 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H16N2O5 | H | 243.098658 | 4460154 | 4460154.00 | 243.098645 | 0.0527 | -1 | 4 | 0.50 | 1.60 | 0.200 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H20O5S | H | 251.095880 | 9308607 | 9308607.00 | 251.095868 | 0.0478 | -1 | 1 | 0.50 | 2.00 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H18O6 | H | 257.103072 | 17273504 | 17273504.00 | 257.103062 | 0.0394 | -1 | 4 | 0.50 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H16O5 | H | 215.092507 | 19109324 | 19109324.00 | 215.092497 | 0.0457 | -1 | 3 | 0.50 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H17NO5 | H | 230.103406 | 7352219 | 7352219.00 | 230.103396 | 0.0425 | -1 | 3 | 0.50 | 1.70 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H19NO6 | H | 272.113970 | 9546736 | 9546736.00 | 272.113961 | 0.0335 | -1 | 4 | 0.50 | 1.58 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H22O6 | H | 261.134371 | 16774795 | 16774795.00 | 261.134362 | 0.0345 | -1 | 2 | 0.50 | 1.83 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H30O8S | H | 381.158871 | 8084228 | 8084228.00 | 381.158862 | 0.0231 | -1 | 2 | 0.50 | 1.88 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H16N2O6 | H | 283.093568 | 6672177 | 6672177.00 | 283.093560 | 0.0290 | -1 | 6 | 0.50 | 1.33 | 0.167 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H20N2O6 | H | 287.124868 | 4432190 | 4432190.00 | 287.124860 | 0.0281 | -1 | 4 | 0.50 | 1.67 | 0.167 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H11NO5 | H | 224.056453 | 4906354 | 4906354.00 | 224.056446 | 0.0312 | -1 | 6 | 0.50 | 1.10 | 0.100 | 0.000 | 0.13 | CHON |
| 2015-05-05 | 2015-05-08 | C16H24O8 | H | 343.139848 | 14328031 | 14328031.00 | 343.139841 | 0.0195 | -1 | 5 | 0.50 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H11NO4 | H | 184.061538 | 5214087 | 5214087.00 | 184.061531 | 0.0359 | -1 | 4 | 0.50 | 1.38 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H13NO6 | H | 266.067017 | 5149103 | 5149103.00 | 266.067011 | 0.0237 | -1 | 7 | 0.50 | 1.08 | 0.083 | 0.000 | 0.10 | CHON |
| 2015-05-05 | 2015-05-08 | C10H12O5 | H | 211.061203 | 12844086 | 12844086.00 | 211.061197 | 0.0282 | -1 | 5 | 0.50 | 1.20 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H14O6 | H | 253.071767 | 5863713 | 5863713.00 | 253.071762 | 0.0208 | -1 | 6 | 0.50 | 1.17 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C18H28O9 | H | 387.166061 | 6369070 | 6369070.00 | 387.166056 | 0.0128 | -1 | 5 | 0.50 | 1.56 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H16O7 | H | 295.082331 | 5044373 | 5044373.00 | 295.082326 | 0.0155 | -1 | 7 | 0.50 | 1.14 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H23NO7 | H | 316.140179 | 7926996 | 7926996.00 | 316.140176 | 0.0106 | -1 | 4 | 0.50 | 1.64 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H26O8 | H | 345.155493 | 12625395 | 12625395.00 | 345.155491 | 0.0048 | -1 | 4 | 0.50 | 1.63 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H21NO7 | H | 314.124526 | 7729015 | 7729015.00 | 314.124526 | 0.0013 | -1 | 5 | 0.50 | 1.50 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H14O5S | H | 245.048918 | 4426774 | 4426774.00 | 245.048918 | 0.0008 | -1 | 4 | 0.50 | 1.40 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H14O5 | H | 213.076847 | 15620348 | 15620348.00 | 213.076847 | -0.0005 | -1 | 4 | 0.50 | 1.40 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H12O4 | H | 171.066282 | 15534332 | 15534332.00 | 171.066282 | -0.0025 | -1 | 3 | 0.50 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H18O7 | H | 297.097976 | 8620891 | 8620891.00 | 297.097976 | -0.0016 | -1 | 6 | 0.50 | 1.29 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H28O8S | H | 379.143211 | 7080310 | 7080310.00 | 379.143212 | -0.0029 | -1 | 3 | 0.50 | 1.75 | 0.000 | 0.063 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H18O5 | H | 217.108146 | 19706516 | 19706516.00 | 217.108147 | -0.0057 | -1 | 2 | 0.50 | 1.80 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H14O4 | H | 173.081931 | 12338679 | 12338679.00 | 173.081932 | -0.0086 | -1 | 2 | 0.50 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H22O7 | H | 301.129275 | 14635525 | 14635525.00 | 301.129277 | -0.0053 | -1 | 4 | 0.50 | 1.57 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H21NO8 | H | 354.119438 | 5204395 | 5204395.00 | 354.119440 | -0.0062 | -1 | 7 | 0.50 | 1.31 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C8H10O4 | H | 169.050630 | 8776574 | 8776574.00 | 169.050632 | -0.0139 | -1 | 4 | 0.50 | 1.25 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H13NO5 | H | 226.072093 | 9023810 | 9023810.00 | 226.072096 | -0.0136 | -1 | 5 | 0.50 | 1.30 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C8H9NO4 | H | 182.045878 | 3824606 | 3824606.00 | 182.045881 | -0.0183 | -1 | 5 | 0.50 | 1.13 | 0.125 | 0.000 | 0.17 | CHON |
| 2015-05-05 | 2015-05-08 | C14H19NO7 | H | 312.108872 | 7584324 | 7584324.00 | 312.108876 | -0.0113 | -1 | 6 | 0.50 | 1.36 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H15NO5 | H | 228.087742 | 9811115 | 9811115.00 | 228.087746 | -0.0182 | -1 | 4 | 0.50 | 1.50 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H20O7 | H | 299.113622 | 13962883 | 13962883.00 | 299.113627 | -0.0152 | -1 | 5 | 0.50 | 1.43 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H24O6S | H | 295.122078 | 119318688 | 140197064.20 | 295.122083 | -0.0161 | -1 | 1 | 0.50 | 2.00 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H20O6 | H | 259.118707 | 22148290 | 22148290.00 | 259.118712 | -0.0190 | -1 | 3 | 0.50 | 1.67 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H6O4 | H | 165.019327 | 9329536 | 9329536.00 | 165.019332 | -0.0317 | -1 | 6 | 0.50 | 0.75 | 0.000 | 0.000 | 0.50 | CHO |
| 2015-05-05 | 2015-05-08 | C16H22O8 | H | 341.124184 | 10656668 | 10656668.00 | 341.124191 | -0.0212 | -1 | 6 | 0.50 | 1.38 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H14N2O5 | H | 241.082985 | 5622781 | 5622781.00 | 241.082995 | -0.0420 | -1 | 5 | 0.50 | 1.40 | 0.200 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H22N2O7 | H | 329.135413 | 4651477 | 4651477.00 | 329.135425 | -0.0353 | -1 | 5 | 0.50 | 1.57 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H21NO5S | H | 266.106755 | 4825524 | 4825524.00 | 266.106767 | -0.0452 | -1 | 1 | 0.50 | 2.10 | 0.100 | 0.100 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C10H16O5S | H | 247.064555 | 5775677 | 5775677.00 | 247.064568 | -0.0521 | -1 | 3 | 0.50 | 1.60 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H25NO6S | H | 310.132968 | 7738717 | 7738717.00 | 310.132982 | -0.0444 | -1 | 1 | 0.50 | 2.08 | 0.083 | 0.083 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C12H14N2O6 | H | 281.077894 | 5377648 | 5377648.00 | 281.077910 | -0.0560 | -1 | 7 | 0.50 | 1.17 | 0.167 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H24O7S | H | 335.116981 | 5432082 | 5432082.00 | 335.116997 | -0.0488 | -1 | 3 | 0.50 | 1.71 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H23NO8 | H | 356.135070 | 6888802 | 6888802.00 | 356.135090 | -0.0569 | -1 | 6 | 0.50 | 1.44 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H15NO7 | H | 308.077551 | 4522108 | 4522108.00 | 308.077575 | -0.0792 | -1 | 8 | 0.50 | 1.07 | 0.071 | 0.000 | 0.08 | CHON |
| 2015-05-05 | 2015-05-08 | C12H17NO6 | H | 270.098285 | 10251089 | 10251089.00 | 270.098311 | -0.0956 | -1 | 5 | 0.50 | 1.42 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H20N2O7 | H | 327.119747 | 5149687 | 5149687.00 | 327.119775 | -0.0842 | -1 | 6 | 0.50 | 1.43 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H24O7 | H | 303.144898 | 16438748 | 16438748.00 | 303.144927 | -0.0946 | -1 | 3 | 0.50 | 1.71 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H20O8 | H | 339.108512 | 5658160 | 5658160.00 | 339.108541 | -0.0860 | -1 | 7 | 0.50 | 1.25 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H26O7 | H | 305.160547 | 4616704 | 4616704.00 | 305.160577 | -0.0974 | -1 | 2 | 0.50 | 1.86 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H28O8 | H | 347.171109 | 7523025 | 7523025.00 | 347.171141 | -0.0934 | -1 | 3 | 0.50 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H19NO8 | H | 352.103756 | 4822448 | 4822448.00 | 352.103790 | -0.0970 | -1 | 8 | 0.50 | 1.19 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H28O7S | H | 339.148253 | 5654092 | 5654092.00 | 339.148297 | -0.1312 | -1 | 1 | 0.50 | 2.00 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H18N2O7 | H | 325.104072 | 4894235 | 4894235.00 | 325.104124 | -0.1615 | -1 | 7 | 0.50 | 1.29 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H28O9S | H | 407.138122 | 9431990 | 9431990.00 | 407.138127 | -0.0116 | -1 | 4 | 0.53 | 1.65 | 0.000 | 0.059 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C17H28O9 | H | 375.166050 | 5252629 | 5252629.00 | 375.166056 | -0.0161 | -1 | 4 | 0.53 | 1.65 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H24O9 | H | 371.134742 | 8426023 | 8426023.00 | 371.134756 | -0.0375 | -1 | 6 | 0.53 | 1.41 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H22O9 | H | 369.119091 | 5685240 | 5685240.00 | 369.119106 | -0.0402 | -1 | 7 | 0.53 | 1.29 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C17H26O9 | H | 373.150375 | 5891120 | 5891120.00 | 373.150406 | -0.0830 | -1 | 5 | 0.53 | 1.53 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H24O8 | H | 331.139864 | 10477480 | 10477480.00 | 331.139841 | 0.0686 | -1 | 4 | 0.53 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H26O8 | H | 333.155513 | 5870969 | 5870969.00 | 333.155491 | 0.0650 | -1 | 3 | 0.53 | 1.73 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H28O8S | H | 367.143228 | 7417258 | 7417258.00 | 367.143212 | 0.0433 | -1 | 2 | 0.53 | 1.87 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H21NO8 | H | 342.119452 | 8056379 | 8056379.00 | 342.119440 | 0.0345 | -1 | 6 | 0.53 | 1.40 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H23NO8 | H | 344.135102 | 6259560 | 6259560.00 | 344.135090 | 0.0341 | -1 | 5 | 0.53 | 1.53 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H26O8S | H | 365.127567 | 9374500 | 9374500.00 | 365.127562 | 0.0136 | -1 | 3 | 0.53 | 1.73 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H25NO8 | H | 346.150726 | 5642338 | 5642338.00 | 346.150740 | -0.0414 | -1 | 4 | 0.53 | 1.67 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H27NO8S | H | 380.138439 | 4655677 | 4655677.00 | 380.138461 | -0.0581 | -1 | 3 | 0.53 | 1.80 | 0.067 | 0.067 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C15H24O8S | H | 363.111884 | 4802669 | 4802669.00 | 363.111912 | -0.0771 | -1 | 4 | 0.53 | 1.60 | 0.000 | 0.067 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H20O8 | H | 327.108513 | 10556398 | 10556398.00 | 327.108541 | -0.0861 | -1 | 6 | 0.53 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H22O8 | H | 329.124160 | 11852237 | 11852237.00 | 329.124191 | -0.0949 | -1 | 5 | 0.53 | 1.47 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H19NO8 | H | 340.103746 | 5183714 | 5183714.00 | 340.103790 | -0.1298 | -1 | 7 | 0.53 | 1.27 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H19NO7 | H | 300.108922 | 7606324 | 7606324.00 | 300.108876 | 0.1549 | -1 | 5 | 0.54 | 1.46 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H22O7S | H | 321.101377 | 5784218 | 5784218.00 | 321.101347 | 0.0925 | -1 | 3 | 0.54 | 1.69 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H17NO7 | H | 298.093252 | 9333983 | 9333983.00 | 298.093225 | 0.0891 | -1 | 6 | 0.54 | 1.31 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H16O7 | H | 283.082348 | 7692080 | 7692080.00 | 283.082326 | 0.0762 | -1 | 6 | 0.54 | 1.23 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H24O7 | H | 291.144943 | 5133387 | 5133387.00 | 291.144927 | 0.0561 | -1 | 2 | 0.54 | 1.85 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H15NO7 | H | 296.077591 | 5712359 | 5712359.00 | 296.077575 | 0.0527 | -1 | 7 | 0.54 | 1.15 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H22O7 | H | 289.129287 | 13435550 | 13435550.00 | 289.129277 | 0.0359 | -1 | 3 | 0.54 | 1.69 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H26O7S | H | 325.132655 | 9768496 | 9768496.00 | 325.132647 | 0.0233 | -1 | 1 | 0.54 | 2.00 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H21NO7 | H | 302.124530 | 6824928 | 6824928.00 | 302.124526 | 0.0146 | -1 | 4 | 0.54 | 1.62 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H16N2O7 | H | 311.088478 | 5330870 | 5330870.00 | 311.088474 | 0.0115 | -1 | 7 | 0.54 | 1.23 | 0.154 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H20O7 | H | 287.113629 | 17326396 | 17326396.00 | 287.113627 | 0.0086 | -1 | 4 | 0.54 | 1.54 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H24O7S | H | 323.116996 | 11733086 | 11733086.00 | 323.116997 | -0.0042 | -1 | 2 | 0.54 | 1.85 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H18O7 | H | 285.097972 | 16482331 | 16482331.00 | 285.097976 | -0.0157 | -1 | 5 | 0.54 | 1.38 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H18N2O7 | H | 313.104105 | 5364943 | 5364943.00 | 313.104124 | -0.0622 | -1 | 6 | 0.54 | 1.38 | 0.154 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H14O7 | H | 281.066645 | 4804207 | 4804207.00 | 281.066676 | -0.1115 | -1 | 7 | 0.54 | 1.08 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H19NO6 | H | 260.113980 | 7562671 | 7562671.00 | 260.113961 | 0.0734 | -1 | 3 | 0.55 | 1.73 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H13NO6 | H | 254.067026 | 4951719 | 4951719.00 | 254.067011 | 0.0602 | -1 | 6 | 0.55 | 1.18 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H16N2O6 | H | 271.093574 | 6691747 | 6691747.00 | 271.093560 | 0.0524 | -1 | 5 | 0.55 | 1.45 | 0.182 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H15NO6 | H | 256.082671 | 8888678 | 8888678.00 | 256.082661 | 0.0400 | -1 | 5 | 0.55 | 1.36 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H18O6 | H | 245.103070 | 21011516 | 21011516.00 | 245.103062 | 0.0332 | -1 | 3 | 0.55 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H14O6 | H | 241.071767 | 8398835 | 8398835.00 | 241.071762 | 0.0219 | -1 | 5 | 0.55 | 1.27 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H20O6S | H | 279.090786 | 5471696 | 5471696.00 | 279.090783 | 0.0121 | -1 | 2 | 0.55 | 1.82 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H12N2O6 | H | 267.062262 | 5057062 | 5057062.00 | 267.062260 | 0.0087 | -1 | 7 | 0.55 | 1.09 | 0.182 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H22O6S | H | 281.106434 | 13090418 | 13090418.00 | 281.106433 | 0.0047 | -1 | 1 | 0.55 | 2.00 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H14N2O6 | H | 269.077909 | 4666102 | 4666102.00 | 269.077910 | -0.0028 | -1 | 6 | 0.55 | 1.27 | 0.182 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H12O6 | H | 239.056109 | 4858039 | 4858039.00 | 239.056112 | -0.0112 | -1 | 6 | 0.55 | 1.09 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H16O6 | H | 243.087409 | 17978992 | 17978992.00 | 243.087412 | -0.0115 | -1 | 4 | 0.55 | 1.45 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H20O6 | H | 247.118709 | 11448670 | 11448670.00 | 247.118712 | -0.0118 | -1 | 2 | 0.55 | 1.82 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H17NO6 | H | 258.098307 | 10494906 | 10494906.00 | 258.098311 | -0.0148 | -1 | 4 | 0.55 | 1.55 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H16N2O5S2 | H | 295.042839 | 28682376 | 28682376.00 | 295.042787 | 0.1777 | -1 | 3 | 0.56 | 1.78 | 0.222 | 0.222 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C9H18O5 | H | 205.108173 | 4310365 | 4310365.00 | 205.108147 | 0.1256 | -1 | 1 | 0.56 | 2.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H19NO5S | H | 252.091136 | 11221891 | 11221891.00 | 252.091117 | 0.0755 | -1 | 1 | 0.56 | 2.11 | 0.111 | 0.111 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C9H12N2O5 | H | 227.067364 | 4637426 | 4637426.00 | 227.067345 | 0.0834 | -1 | 5 | 0.56 | 1.33 | 0.222 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H17NO5 | H | 218.103410 | 4002011 | 4002011.00 | 218.103396 | 0.0632 | -1 | 2 | 0.56 | 1.89 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H13NO5 | H | 214.072109 | 6515536 | 6515536.00 | 214.072096 | 0.0603 | -1 | 4 | 0.56 | 1.44 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H10N2O5 | H | 225.051706 | 4344659 | 4344659.00 | 225.051695 | 0.0489 | -1 | 6 | 0.56 | 1.11 | 0.222 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H16O5S | H | 235.064577 | 8075286 | 8075286.00 | 235.064568 | 0.0389 | -1 | 2 | 0.56 | 1.78 | 0.000 | 0.111 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H10O5 | H | 197.045556 | 5624848 | 5624848.00 | 197.045547 | 0.0458 | -1 | 5 | 0.56 | 1.11 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H11NO5 | H | 212.056451 | 7319171 | 7319171.00 | 212.056446 | 0.0235 | -1 | 5 | 0.56 | 1.22 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H12O5 | H | 199.061200 | 18367664 | 18367664.00 | 199.061197 | 0.0149 | -1 | 4 | 0.56 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H14O5 | H | 201.076850 | 21131218 | 21131218.00 | 201.076847 | 0.0144 | -1 | 3 | 0.56 | 1.56 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H15NO5 | H | 216.087745 | 9190430 | 9190430.00 | 216.087746 | -0.0053 | -1 | 3 | 0.56 | 1.67 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H18O5S | H | 237.080212 | 5859549 | 5859549.00 | 237.080218 | -0.0250 | -1 | 1 | 0.56 | 2.00 | 0.000 | 0.111 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C16H21NO9 | H | 370.114380 | 4632849 | 4632849.00 | 370.114355 | 0.0680 | -1 | 7 | 0.56 | 1.31 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H25NO9 | H | 374.145668 | 4826403 | 4826403.00 | 374.145655 | 0.0349 | -1 | 5 | 0.56 | 1.56 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H24O9 | H | 359.134760 | 7250551 | 7250551.00 | 359.134756 | 0.0114 | -1 | 5 | 0.56 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H22O9 | H | 357.119107 | 7364380 | 7364380.00 | 357.119106 | 0.0032 | -1 | 6 | 0.56 | 1.38 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H23NO9 | H | 372.130002 | 5509933 | 5509933.00 | 372.130005 | -0.0078 | -1 | 6 | 0.56 | 1.44 | 0.063 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C16H20O9 | H | 355.103445 | 5483395 | 5483395.00 | 355.103456 | -0.0304 | -1 | 7 | 0.56 | 1.25 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H26O9 | H | 361.150392 | 5391767 | 5391767.00 | 361.150406 | -0.0387 | -1 | 4 | 0.56 | 1.63 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H17NO8 | H | 326.088167 | 5177591 | 5177591.00 | 326.088140 | 0.0826 | -1 | 7 | 0.57 | 1.21 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H21NO8 | H | 330.119457 | 9026738 | 9026738.00 | 330.119440 | 0.0509 | -1 | 5 | 0.57 | 1.50 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H18O8 | H | 313.092900 | 8367304 | 8367304.00 | 313.092891 | 0.0284 | -1 | 6 | 0.57 | 1.29 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H22O8 | H | 317.124198 | 8910720 | 8910720.00 | 317.124191 | 0.0213 | -1 | 4 | 0.57 | 1.57 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H20O8 | H | 315.108547 | 11063824 | 11063824.00 | 315.108541 | 0.0185 | -1 | 5 | 0.57 | 1.43 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H23NO8 | H | 332.135096 | 6103689 | 6103689.00 | 332.135090 | 0.0173 | -1 | 4 | 0.57 | 1.64 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H24O8S | H | 351.111917 | 5567394 | 5567394.00 | 351.111912 | 0.0143 | -1 | 3 | 0.57 | 1.71 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H26O8S | H | 353.127565 | 5871550 | 5871550.00 | 353.127562 | 0.0084 | -1 | 2 | 0.57 | 1.86 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H19NO8 | H | 328.103788 | 8128212 | 8128212.00 | 328.103790 | -0.0065 | -1 | 6 | 0.57 | 1.36 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C7H10O4 | H | 157.050630 | 7495265 | 7495265.00 | 157.050632 | -0.0150 | -1 | 3 | 0.57 | 1.43 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H12O4 | H | 159.066280 | 5991914 | 5991914.00 | 159.066282 | -0.0152 | -1 | 2 | 0.57 | 1.71 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H9NO4 | H | 170.045877 | 4169008 | 4169008.00 | 170.045881 | -0.0255 | -1 | 4 | 0.57 | 1.29 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C7H13NO4 | H | 174.077177 | 4523820 | 4523820.00 | 174.077181 | -0.0256 | -1 | 2 | 0.57 | 1.86 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H18N2O8 | H | 341.099023 | 5577611 | 5577611.00 | 341.099039 | -0.0472 | -1 | 7 | 0.57 | 1.29 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H16N2O8 | H | 339.083357 | 4644383 | 4644383.00 | 339.083389 | -0.0945 | -1 | 8 | 0.57 | 1.14 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H21NO7 | H | 290.124546 | 5159783 | 5159783.00 | 290.124526 | 0.0704 | -1 | 3 | 0.58 | 1.75 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H17NO7 | H | 286.093239 | 10113187 | 10113187.00 | 286.093225 | 0.0474 | -1 | 5 | 0.58 | 1.42 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H18O7 | H | 273.097985 | 15858743 | 15858743.00 | 273.097976 | 0.0312 | -1 | 4 | 0.58 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H16N2O7 | H | 299.088481 | 5361273 | 5361273.00 | 299.088474 | 0.0220 | -1 | 6 | 0.58 | 1.33 | 0.167 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H22O7S | H | 309.101350 | 10470114 | 10470114.00 | 309.101347 | 0.0087 | -1 | 2 | 0.58 | 1.83 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H16O7 | H | 271.082326 | 14646178 | 14646178.00 | 271.082326 | -0.0015 | -1 | 5 | 0.58 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H20O7 | H | 275.113626 | 12819646 | 12819646.00 | 275.113627 | -0.0020 | -1 | 3 | 0.58 | 1.67 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H15NO7 | H | 284.077574 | 7626655 | 7626655.00 | 284.077575 | -0.0049 | -1 | 6 | 0.58 | 1.25 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H24O7S | H | 311.116994 | 11716551 | 11716551.00 | 311.116997 | -0.0108 | -1 | 1 | 0.58 | 2.00 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H14N2O7 | H | 297.072820 | 5012306 | 5012306.00 | 297.072824 | -0.0147 | -1 | 7 | 0.58 | 1.17 | 0.167 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H14O7 | H | 269.066668 | 7412469 | 7412469.00 | 269.066676 | -0.0310 | -1 | 6 | 0.58 | 1.17 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H19NO7 | H | 288.108862 | 8057314 | 8057314.00 | 288.108876 | -0.0469 | -1 | 4 | 0.58 | 1.58 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C17H22O10 | H | 385.114017 | 4763091 | 4763091.00 | 385.114020 | -0.0090 | -1 | 7 | 0.59 | 1.29 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H14N2O6 | H | 257.077931 | 5268121 | 5268121.00 | 257.077910 | 0.0827 | -1 | 5 | 0.60 | 1.40 | 0.200 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H22O9 | H | 345.119121 | 7734748 | 7734748.00 | 345.119106 | 0.0439 | -1 | 5 | 0.60 | 1.47 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H20O6S | H | 267.090794 | 19126824 | 19126824.00 | 267.090783 | 0.0426 | -1 | 1 | 0.60 | 2.00 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H11NO6 | H | 240.051370 | 5596258 | 5596258.00 | 240.051361 | 0.0390 | -1 | 6 | 0.60 | 1.10 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H20O9 | H | 343.103464 | 8331464 | 8331464.00 | 343.103456 | 0.0239 | -1 | 6 | 0.60 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H18O6 | H | 233.103070 | 12668637 | 12668637.00 | 233.103062 | 0.0349 | -1 | 2 | 0.60 | 1.80 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H12N2O6 | H | 255.062264 | 6125585 | 6125585.00 | 255.062260 | 0.0170 | -1 | 6 | 0.60 | 1.20 | 0.200 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H19NO9 | H | 356.098708 | 5164370 | 5164370.00 | 356.098705 | 0.0091 | -1 | 7 | 0.60 | 1.27 | 0.067 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H16N2O6 | H | 259.093563 | 4461757 | 4461757.00 | 259.093560 | 0.0123 | -1 | 4 | 0.60 | 1.60 | 0.200 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H17NO6 | H | 246.098314 | 8754905 | 8754905.00 | 246.098311 | 0.0129 | -1 | 3 | 0.60 | 1.70 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H16O6S | H | 263.059485 | 5859316 | 5859316.00 | 263.059482 | 0.0096 | -1 | 3 | 0.60 | 1.60 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H16O6 | H | 231.087414 | 24405184 | 24405184.00 | 231.087412 | 0.0095 | -1 | 3 | 0.60 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H12O6 | H | 227.056112 | 10927842 | 10927842.00 | 227.056112 | 0.0015 | -1 | 5 | 0.60 | 1.20 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H14O6 | H | 229.071762 | 26622482 | 29501897.40 | 229.071762 | 0.0012 | -1 | 4 | 0.60 | 1.40 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H8O6S2 | H | 286.968947 | 7012646 | 7012646.00 | 286.968953 | -0.0206 | -1 | 7 | 0.60 | 0.80 | 0.000 | 0.200 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H10O6 | H | 225.040453 | 4690754 | 4690754.00 | 225.040462 | -0.0382 | -1 | 6 | 0.60 | 1.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H13NO6 | H | 242.067002 | 8166207 | 8166207.00 | 242.067011 | -0.0360 | -1 | 5 | 0.60 | 1.30 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H15NO6 | H | 244.082651 | 10991970 | 10991970.00 | 244.082661 | -0.0400 | -1 | 4 | 0.60 | 1.50 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H18O6S | H | 265.075122 | 6926635 | 6926635.00 | 265.075133 | -0.0398 | -1 | 2 | 0.60 | 1.80 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C15H18O9 | H | 341.087788 | 6843268 | 6843268.00 | 341.087806 | -0.0520 | -1 | 7 | 0.60 | 1.20 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H24O9 | H | 347.134738 | 5642939 | 5642939.00 | 347.134756 | -0.0516 | -1 | 4 | 0.60 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H16O8 | H | 299.077256 | 8699508 | 8699508.00 | 299.077241 | 0.0500 | -1 | 6 | 0.62 | 1.23 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H20O8 | H | 303.108551 | 8734153 | 8734153.00 | 303.108541 | 0.0324 | -1 | 4 | 0.62 | 1.54 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H24O8S | H | 339.111920 | 8173106 | 8173106.00 | 339.111912 | 0.0236 | -1 | 2 | 0.62 | 1.85 | 0.000 | 0.077 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C13H17NO8 | H | 314.088147 | 7061342 | 7061342.00 | 314.088140 | 0.0220 | -1 | 6 | 0.62 | 1.31 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H14O8 | H | 297.061592 | 4432718 | 4432718.00 | 297.061591 | 0.0035 | -1 | 7 | 0.62 | 1.08 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H18O8 | H | 301.092869 | 10158580 | 10158580.00 | 301.092891 | -0.0734 | -1 | 5 | 0.62 | 1.38 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H15NO8 | H | 312.072459 | 4493869 | 4493869.00 | 312.072490 | -0.0994 | -1 | 7 | 0.62 | 1.15 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H19NO8 | H | 316.103748 | 7103675 | 7103675.00 | 316.103790 | -0.1333 | -1 | 5 | 0.62 | 1.46 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H22O8 | H | 305.124144 | 4725228 | 4725228.00 | 305.124191 | -0.1548 | -1 | 3 | 0.62 | 1.69 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C16H24O10 | H | 375.129701 | 5338636 | 5338636.00 | 375.129671 | 0.0812 | -1 | 5 | 0.63 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H16O5S | H | 223.064580 | 5652353 | 5652353.00 | 223.064568 | 0.0544 | -1 | 1 | 0.63 | 2.00 | 0.000 | 0.125 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C8H13NO5 | H | 202.072101 | 16459133 | 16459133.00 | 202.072096 | 0.0243 | -1 | 3 | 0.63 | 1.63 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C8H10O5 | H | 185.045550 | 14047534 | 14047534.00 | 185.045547 | 0.0163 | -1 | 4 | 0.63 | 1.25 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H12O5 | H | 187.061198 | 39925588 | 43380182.60 | 187.061197 | 0.0051 | -1 | 3 | 0.63 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H14O5 | H | 189.076848 | 9307753 | 9307753.00 | 189.076847 | 0.0047 | -1 | 2 | 0.63 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H11NO5 | H | 200.056445 | 7723552 | 7723552.00 | 200.056446 | -0.0051 | -1 | 4 | 0.63 | 1.38 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C8H7NO5 | H | 196.025141 | 3894503 | 3894503.00 | 196.025146 | -0.0249 | -1 | 6 | 0.63 | 0.88 | 0.125 | 0.000 | 0.25 | CHON |
| 2015-05-05 | 2015-05-08 | C8H15NO5 | H | 204.087737 | 6198596 | 6198596.00 | 204.087746 | -0.0448 | -1 | 2 | 0.63 | 1.88 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H20O7 | H | 263.113664 | 4638717 | 4638717.00 | 263.113627 | 0.1424 | -1 | 2 | 0.64 | 1.82 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H22O7S | H | 297.101372 | 7543645 | 7543645.00 | 297.101347 | 0.0831 | -1 | 1 | 0.64 | 2.00 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H17NO7 | H | 274.093243 | 9084027 | 9084027.00 | 274.093225 | 0.0640 | -1 | 4 | 0.64 | 1.55 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H18O7 | H | 261.097994 | 14325379 | 14325379.00 | 261.097976 | 0.0671 | -1 | 3 | 0.64 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H14O7 | H | 257.066690 | 12595862 | 12595862.00 | 257.066676 | 0.0531 | -1 | 5 | 0.64 | 1.27 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H19NO7 | H | 276.108885 | 4871424 | 4871424.00 | 276.108876 | 0.0343 | -1 | 3 | 0.64 | 1.73 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H13NO7 | H | 270.061933 | 6404942 | 6404942.00 | 270.061925 | 0.0284 | -1 | 6 | 0.64 | 1.18 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H15NO7 | H | 272.077580 | 9645038 | 9645038.00 | 272.077575 | 0.0169 | -1 | 5 | 0.64 | 1.36 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H12O7 | H | 255.051025 | 5068813 | 5068813.00 | 255.051026 | -0.0050 | -1 | 6 | 0.64 | 1.09 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H16O7 | H | 259.082319 | 16209082 | 16209082.00 | 259.082326 | -0.0286 | -1 | 4 | 0.64 | 1.45 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H16N2O7 | H | 287.088467 | 5644601 | 5644601.00 | 287.088474 | -0.0259 | -1 | 5 | 0.64 | 1.45 | 0.182 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H20O7S | H | 295.085686 | 10533014 | 10533014.00 | 295.085697 | -0.0381 | -1 | 2 | 0.64 | 1.82 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H14N2O7 | H | 285.072790 | 4653080 | 4653080.00 | 285.072824 | -0.1205 | -1 | 6 | 0.64 | 1.27 | 0.182 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H19NO9 | H | 344.098741 | 7349072 | 7349072.00 | 344.098705 | 0.1053 | -1 | 6 | 0.64 | 1.36 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H17NO9 | H | 342.083077 | 5914147 | 5914147.00 | 342.083055 | 0.0652 | -1 | 7 | 0.64 | 1.21 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H21NO9 | H | 346.114374 | 6023243 | 6023243.00 | 346.114355 | 0.0554 | -1 | 5 | 0.64 | 1.50 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H20O9 | H | 331.103474 | 7384973 | 7384973.00 | 331.103456 | 0.0550 | -1 | 5 | 0.64 | 1.43 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H22O9 | H | 333.119111 | 6497630 | 6497630.00 | 333.119106 | 0.0155 | -1 | 4 | 0.64 | 1.57 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H18O9 | H | 329.087794 | 7236018 | 7236018.00 | 329.087806 | -0.0356 | -1 | 6 | 0.64 | 1.29 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H16O9 | H | 327.072142 | 5440467 | 5440467.00 | 327.072156 | -0.0418 | -1 | 7 | 0.64 | 1.14 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C15H20O10 | H | 359.098403 | 4633192 | 4633192.00 | 359.098370 | 0.0908 | -1 | 6 | 0.67 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H20O8S | H | 323.080640 | 6113347 | 6113347.00 | 323.080612 | 0.0871 | -1 | 3 | 0.67 | 1.67 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H19NO6S | H | 268.086054 | 5333653 | 5333653.00 | 268.086032 | 0.0836 | -1 | 1 | 0.67 | 2.11 | 0.111 | 0.111 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C9H16O6S | H | 251.059492 | 8104366 | 8104366.00 | 251.059482 | 0.0379 | -1 | 2 | 0.67 | 1.78 | 0.000 | 0.111 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H16O6 | H | 219.087421 | 8058632 | 8058632.00 | 219.087412 | 0.0420 | -1 | 2 | 0.67 | 1.78 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H12N2O6 | H | 243.062268 | 5307997 | 5307997.00 | 243.062260 | 0.0342 | -1 | 5 | 0.67 | 1.33 | 0.222 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H13NO6 | H | 230.067019 | 10477418 | 10477418.00 | 230.067011 | 0.0361 | -1 | 4 | 0.67 | 1.44 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H19NO8 | H | 304.103796 | 4978635 | 4978635.00 | 304.103790 | 0.0193 | -1 | 4 | 0.67 | 1.58 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H12O6 | H | 215.056117 | 19416464 | 19416464.00 | 215.056112 | 0.0248 | -1 | 4 | 0.67 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H14O6 | H | 217.071765 | 25240152 | 25240152.00 | 217.071762 | 0.0151 | -1 | 3 | 0.67 | 1.56 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H10O6 | H | 213.040464 | 9177281 | 9177281.00 | 213.040462 | 0.0113 | -1 | 5 | 0.67 | 1.11 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H17NO8 | H | 302.088142 | 7328719 | 7328719.00 | 302.088140 | 0.0064 | -1 | 5 | 0.67 | 1.42 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H11NO6 | H | 228.051362 | 7128183 | 7128183.00 | 228.051361 | 0.0060 | -1 | 5 | 0.67 | 1.22 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H14N2O6 | H | 245.077911 | 5526570 | 5526570.00 | 245.077910 | 0.0051 | -1 | 4 | 0.67 | 1.56 | 0.222 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C6H11NO4S | H | 192.033603 | 33133136 | 33133136.00 | 192.033602 | 0.0048 | -1 | 2 | 0.67 | 1.83 | 0.167 | 0.167 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C12H14N2O8 | H | 313.067739 | 4463799 | 4463799.00 | 313.067739 | 0.0000 | -1 | 7 | 0.67 | 1.17 | 0.167 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H14O8 | H | 285.061589 | 7745559 | 7745559.00 | 285.061591 | -0.0069 | -1 | 6 | 0.67 | 1.17 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H15NO6 | H | 232.082656 | 9028050 | 9028050.00 | 232.082661 | -0.0205 | -1 | 3 | 0.67 | 1.67 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H16O8 | H | 287.077233 | 12910903 | 12910903.00 | 287.077241 | -0.0280 | -1 | 5 | 0.67 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H18O6S | H | 253.075124 | 12266786 | 12266786.00 | 253.075133 | -0.0338 | -1 | 1 | 0.67 | 2.00 | 0.000 | 0.111 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H22O8S | H | 325.096251 | 7892502 | 7892502.00 | 325.096262 | -0.0336 | -1 | 2 | 0.67 | 1.83 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H24O8S | H | 327.111898 | 4527089 | 4527089.00 | 327.111912 | -0.0428 | -1 | 1 | 0.67 | 2.00 | 0.000 | 0.083 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H18O8 | H | 289.092876 | 9826967 | 9826967.00 | 289.092891 | -0.0522 | -1 | 4 | 0.67 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H17NO6S | H | 266.070365 | 5145007 | 5145007.00 | 266.070382 | -0.0621 | -1 | 2 | 0.67 | 1.89 | 0.111 | 0.111 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C12H20O8 | H | 291.108522 | 5037122 | 5037122.00 | 291.108541 | -0.0658 | -1 | 3 | 0.67 | 1.67 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C12H15NO8 | H | 300.072467 | 7192612 | 7192612.00 | 300.072490 | -0.0767 | -1 | 6 | 0.67 | 1.25 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C15H22O10 | H | 361.113991 | 4912521 | 4912521.00 | 361.114020 | -0.0816 | -1 | 5 | 0.67 | 1.47 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H18O9 | H | 317.087838 | 8087399 | 8087399.00 | 317.087806 | 0.1018 | -1 | 5 | 0.69 | 1.38 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H16O9 | H | 315.072178 | 7565815 | 7565815.00 | 315.072156 | 0.0709 | -1 | 6 | 0.69 | 1.23 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H17NO9 | H | 330.083054 | 5606551 | 5606551.00 | 330.083055 | -0.0021 | -1 | 6 | 0.69 | 1.31 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H19NO9 | H | 332.098702 | 6767214 | 6767214.00 | 332.098705 | -0.0083 | -1 | 5 | 0.69 | 1.46 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C13H15NO9 | H | 328.067401 | 5408441 | 5408441.00 | 328.067405 | -0.0111 | -1 | 7 | 0.69 | 1.15 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H13NO7 | H | 258.061936 | 9495472 | 9495472.00 | 258.061925 | 0.0414 | -1 | 5 | 0.70 | 1.30 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H14O7 | H | 245.066685 | 19045410 | 19045410.00 | 245.066676 | 0.0353 | -1 | 4 | 0.70 | 1.40 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H14N2O7 | H | 273.072832 | 4897845 | 4897845.00 | 273.072824 | 0.0280 | -1 | 5 | 0.70 | 1.40 | 0.200 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H15NO7 | H | 260.077583 | 11371942 | 11371942.00 | 260.077575 | 0.0293 | -1 | 4 | 0.70 | 1.50 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H18O7S | H | 281.070053 | 13483631 | 13483631.00 | 281.070047 | 0.0207 | -1 | 2 | 0.70 | 1.80 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H17NO7 | H | 262.093230 | 4951879 | 4951879.00 | 262.093225 | 0.0173 | -1 | 3 | 0.70 | 1.70 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H16O7S | H | 279.054400 | 6815181 | 6815181.00 | 279.054397 | 0.0104 | -1 | 3 | 0.70 | 1.60 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H11NO7 | H | 256.046276 | 4726107 | 4726107.00 | 256.046275 | 0.0029 | -1 | 6 | 0.70 | 1.10 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H16O7 | H | 247.082324 | 12874056 | 12874056.00 | 247.082326 | -0.0098 | -1 | 3 | 0.70 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H12O7 | H | 243.051023 | 12764756 | 12764756.00 | 243.051026 | -0.0135 | -1 | 5 | 0.70 | 1.20 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H18O7 | H | 249.097961 | 5281233 | 5281233.00 | 249.097976 | -0.0621 | -1 | 2 | 0.70 | 1.80 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H20O7S | H | 283.085673 | 9971504 | 9971504.00 | 283.085697 | -0.0856 | -1 | 1 | 0.70 | 2.00 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H19NO7S | H | 296.080916 | 4418024 | 4418024.00 | 296.080946 | -0.1020 | -1 | 2 | 0.70 | 1.90 | 0.100 | 0.100 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C14H22O10S | H | 381.086121 | 6568694 | 6568694.00 | 381.086091 | 0.0783 | -1 | 4 | 0.71 | 1.57 | 0.000 | 0.071 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C7H14O5S | H | 209.048922 | 4754321 | 4754321.00 | 209.048918 | 0.0201 | -1 | 1 | 0.71 | 2.00 | 0.000 | 0.143 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C7H10O5 | H | 173.045547 | 14218997 | 14218997.00 | 173.045547 | 0.0001 | -1 | 3 | 0.71 | 1.43 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H12O5 | H | 175.061196 | 4748937 | 4748937.00 | 175.061197 | -0.0060 | -1 | 2 | 0.71 | 1.71 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H18O10 | H | 345.082719 | 5670341 | 5670341.00 | 345.082720 | -0.0039 | -1 | 6 | 0.71 | 1.29 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H8O5 | H | 171.029889 | 8612605 | 8612605.00 | 171.029897 | -0.0463 | -1 | 4 | 0.71 | 1.14 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H14O5 | H | 177.076837 | 3809236 | 3809236.00 | 177.076847 | -0.0571 | -1 | 1 | 0.71 | 2.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H11NO5 | H | 188.056435 | 4605624 | 4605624.00 | 188.056446 | -0.0586 | -1 | 3 | 0.71 | 1.57 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C7H13NO5 | H | 190.072082 | 4848185 | 4848185.00 | 190.072096 | -0.0741 | -1 | 2 | 0.71 | 1.86 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C14H19NO10 | H | 360.093599 | 5112827 | 5112827.00 | 360.093619 | -0.0566 | -1 | 6 | 0.71 | 1.36 | 0.071 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H12O8 | H | 271.045964 | 7322527 | 7322527.00 | 271.045941 | 0.0852 | -1 | 6 | 0.73 | 1.09 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H13NO8 | H | 286.056853 | 6832286 | 6832286.00 | 286.056840 | 0.0456 | -1 | 6 | 0.73 | 1.18 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H17NO8 | H | 290.088153 | 7582560 | 7582560.00 | 290.088140 | 0.0446 | -1 | 4 | 0.73 | 1.55 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H15NO8 | H | 288.072500 | 7721436 | 7721436.00 | 288.072490 | 0.0347 | -1 | 5 | 0.73 | 1.36 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H16O8 | H | 275.077251 | 13458620 | 13458620.00 | 275.077241 | 0.0362 | -1 | 4 | 0.73 | 1.45 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H14O8 | H | 273.061598 | 13810740 | 13810740.00 | 273.061591 | 0.0257 | -1 | 5 | 0.73 | 1.27 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H18O8 | H | 277.092885 | 5221698 | 5221698.00 | 277.092891 | -0.0220 | -1 | 3 | 0.73 | 1.64 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H20O8S | H | 311.080602 | 10192816 | 10192816.00 | 311.080612 | -0.0317 | -1 | 2 | 0.73 | 1.82 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H18O8S | H | 309.064928 | 4639436 | 4639436.00 | 309.064962 | -0.1093 | -1 | 3 | 0.73 | 1.64 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C8H11NO6 | H | 216.051377 | 6338531 | 6338531.00 | 216.051361 | 0.0757 | -1 | 4 | 0.75 | 1.38 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C8H14O6S | H | 237.043845 | 4479158 | 4479158.00 | 237.043832 | 0.0531 | -1 | 2 | 0.75 | 1.75 | 0.000 | 0.125 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H14O9 | H | 301.056518 | 7393764 | 7393764.00 | 301.056506 | 0.0412 | -1 | 6 | 0.75 | 1.17 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H10O6 | H | 201.040467 | 12754846 | 12754846.00 | 201.040462 | 0.0269 | -1 | 4 | 0.75 | 1.25 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H12O6 | H | 203.056117 | 28687154 | 28687154.00 | 203.056112 | 0.0263 | -1 | 3 | 0.75 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H14O6 | H | 205.071766 | 9871140 | 9871140.00 | 205.071762 | 0.0208 | -1 | 2 | 0.75 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H13NO6 | H | 218.067009 | 8417440 | 8417440.00 | 218.067011 | -0.0078 | -1 | 3 | 0.75 | 1.63 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C8H16O6S | H | 239.059475 | 16214202 | 16214202.00 | 239.059482 | -0.0313 | -1 | 1 | 0.75 | 2.00 | 0.000 | 0.125 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C12H15NO9 | H | 316.067390 | 5108898 | 5108898.00 | 316.067405 | -0.0463 | -1 | 6 | 0.75 | 1.25 | 0.083 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C12H16O9 | H | 303.072135 | 6915511 | 6915511.00 | 303.072156 | -0.0682 | -1 | 5 | 0.75 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H17NO10 | H | 346.077966 | 5818420 | 5818420.00 | 346.077969 | -0.0096 | -1 | 6 | 0.77 | 1.31 | 0.077 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H17NO7S | H | 282.065320 | 7384778 | 7384778.00 | 282.065296 | 0.0846 | -1 | 2 | 0.78 | 1.89 | 0.111 | 0.111 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C9H18O7S | H | 269.070070 | 13376245 | 13376245.00 | 269.070047 | 0.0848 | -1 | 1 | 0.78 | 2.00 | 0.000 | 0.111 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H15NO7 | H | 248.077594 | 7447448 | 7447448.00 | 248.077575 | 0.0750 | -1 | 3 | 0.78 | 1.67 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H13NO7 | H | 246.061943 | 10882753 | 10882753.00 | 246.061925 | 0.0718 | -1 | 4 | 0.78 | 1.44 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H16O7S | H | 267.054406 | 9607717 | 9607717.00 | 267.054397 | 0.0333 | -1 | 2 | 0.78 | 1.78 | 0.000 | 0.111 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H12N2O7 | H | 259.057183 | 5135540 | 5135540.00 | 259.057174 | 0.0336 | -1 | 5 | 0.78 | 1.33 | 0.222 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H14O7 | H | 233.066681 | 12287664 | 12287664.00 | 233.066676 | 0.0199 | -1 | 3 | 0.78 | 1.56 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H16O7 | H | 235.082329 | 5012523 | 5012523.00 | 235.082326 | 0.0110 | -1 | 2 | 0.78 | 1.78 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H10O7 | H | 229.035372 | 8993247 | 8993247.00 | 229.035376 | -0.0184 | -1 | 5 | 0.78 | 1.11 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H11NO7 | H | 244.046266 | 6304072 | 6304072.00 | 244.046275 | -0.0379 | -1 | 5 | 0.78 | 1.22 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H12O7 | H | 231.051016 | 16114833 | 16114833.00 | 231.051026 | -0.0445 | -1 | 4 | 0.78 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C14H5N3O11S2 | H | 453.929327 | 11975004 | 11975004.00 | 453.929273 | 0.1191 | -1 | 14 | 0.79 | 0.36 | 0.214 | 0.143 | 0.25 | CHONS |
| 2015-05-05 | 2015-05-08 | C14H5N3O11S | H | 421.957191 | 14268441 | 14268441.00 | 421.957202 | -0.0267 | -1 | 14 | 0.79 | 0.36 | 0.214 | 0.071 | 0.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C10H18O8S | H | 297.064980 | 10197839 | 10197839.00 | 297.064962 | 0.0613 | -1 | 2 | 0.80 | 1.80 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H16O8 | H | 263.077257 | 7100407 | 7100407.00 | 263.077241 | 0.0607 | -1 | 3 | 0.80 | 1.60 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H15NO8 | H | 276.072505 | 8228094 | 8228094.00 | 276.072490 | 0.0543 | -1 | 4 | 0.80 | 1.50 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H11NO8 | H | 272.041202 | 5211115 | 5211115.00 | 272.041190 | 0.0445 | -1 | 6 | 0.80 | 1.10 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H14O8 | H | 261.061602 | 14227068 | 14227068.00 | 261.061591 | 0.0422 | -1 | 4 | 0.80 | 1.40 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H12O8 | H | 259.045944 | 12174513 | 12174513.00 | 259.045941 | 0.0119 | -1 | 5 | 0.80 | 1.20 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H13NO8 | H | 274.056837 | 10554488 | 10554488.00 | 274.056840 | -0.0108 | -1 | 5 | 0.80 | 1.30 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C5H10O4S2 | H | 196.994759 | 4703693 | 4703693.00 | 196.994774 | -0.0748 | -1 | 1 | 0.80 | 2.00 | 0.000 | 0.400 | 5.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H14N2O8 | H | 289.067724 | 4932242 | 4932242.00 | 289.067739 | -0.0518 | -1 | 5 | 0.80 | 1.40 | 0.200 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H16O8S | H | 295.049287 | 6404234 | 6404234.00 | 295.049312 | -0.0838 | -1 | 3 | 0.80 | 1.60 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H20O9S | H | 327.075526 | 5477334 | 5477334.00 | 327.075526 | -0.0015 | -1 | 2 | 0.82 | 1.82 | 0.000 | 0.091 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C11H13NO9 | H | 302.051753 | 5759933 | 5759933.00 | 302.051755 | -0.0052 | -1 | 6 | 0.82 | 1.18 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H14O9 | H | 289.056496 | 7520912 | 7520912.00 | 289.056506 | -0.0332 | -1 | 5 | 0.82 | 1.27 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H16O9 | H | 291.072142 | 5379130 | 5379130.00 | 291.072156 | -0.0469 | -1 | 4 | 0.82 | 1.45 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C11H15NO9 | H | 304.067385 | 4790200 | 4790200.00 | 304.067405 | -0.0646 | -1 | 5 | 0.82 | 1.36 | 0.091 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C11H12O9 | H | 287.040833 | 5054769 | 5054769.00 | 287.040856 | -0.0785 | -1 | 6 | 0.82 | 1.09 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C6H12O5S | H | 195.033279 | 6945289 | 6945289.00 | 195.033268 | 0.0578 | -1 | 1 | 0.83 | 2.00 | 0.000 | 0.167 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C6H11NO5 | H | 176.056455 | 4296339 | 4296339.00 | 176.056446 | 0.0510 | -1 | 2 | 0.83 | 1.83 | 0.167 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C6H6O5 | H | 157.014245 | 7934204 | 7934204.00 | 157.014247 | -0.0118 | -1 | 4 | 0.83 | 1.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H8O6 | H | 187.024816 | 7718711 | 7718711.00 | 187.024812 | 0.0239 | -1 | 4 | 0.86 | 1.14 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H10O6 | H | 189.040466 | 11217478 | 11217478.00 | 189.040462 | 0.0233 | -1 | 3 | 0.86 | 1.43 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H11NO6 | H | 204.051365 | 13469965 | 13469965.00 | 204.051361 | 0.0214 | -1 | 3 | 0.86 | 1.57 | 0.143 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C7H15NO6S | H | 240.054734 | 4791397 | 4791397.00 | 240.054731 | 0.0106 | -1 | 1 | 0.86 | 2.14 | 0.143 | 0.143 | 6.50 | CHONS |
| 2015-05-05 | 2015-05-08 | C7H12O6 | H | 191.056106 | 7735856 | 7735856.00 | 191.056112 | -0.0297 | -1 | 2 | 0.86 | 1.71 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H14O6S | H | 225.043826 | 20276038 | 20276038.00 | 225.043832 | -0.0285 | -1 | 1 | 0.86 | 2.00 | 0.000 | 0.143 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C8H14N2O7S | H | 281.044923 | 5095021 | 5095021.00 | 281.044895 | 0.0994 | -1 | 3 | 0.88 | 1.75 | 0.250 | 0.125 | 3.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C8H9NO7 | H | 230.030639 | 4346681 | 4346681.00 | 230.030625 | 0.0600 | -1 | 5 | 0.88 | 1.13 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C8H8O7 | H | 215.019735 | 4689238 | 4689238.00 | 215.019726 | 0.0411 | -1 | 5 | 0.88 | 1.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H16O7S | H | 255.054405 | 10776590 | 10776590.00 | 255.054397 | 0.0309 | -1 | 1 | 0.88 | 2.00 | 0.000 | 0.125 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C8H17NO7S | H | 270.065304 | 5532494 | 5532494.00 | 270.065296 | 0.0291 | -1 | 1 | 0.88 | 2.13 | 0.125 | 0.125 | 7.50 | CHONS |
| 2015-05-05 | 2015-05-08 | C8H10O7 | H | 217.035380 | 11696670 | 11696670.00 | 217.035376 | 0.0174 | -1 | 4 | 0.88 | 1.25 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H14O7 | H | 221.066678 | 6628179 | 6628179.00 | 221.066676 | 0.0075 | -1 | 2 | 0.88 | 1.75 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H14O7S | H | 253.038748 | 6579476 | 6579476.00 | 253.038747 | 0.0038 | -1 | 2 | 0.88 | 1.75 | 0.000 | 0.125 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C8H11NO7 | H | 232.046276 | 7297444 | 7297444.00 | 232.046275 | 0.0032 | -1 | 4 | 0.88 | 1.38 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C8H12O7 | H | 219.051025 | 9858766 | 9858766.00 | 219.051026 | -0.0059 | -1 | 3 | 0.88 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H13NO7 | H | 234.061911 | 5419380 | 5419380.00 | 234.061925 | -0.0612 | -1 | 3 | 0.88 | 1.63 | 0.125 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C8H10N4O7S | H | 305.019681 | 245283248 | 261698956.00 | 305.019743 | -0.2031 | -1 | 6 | 0.88 | 1.25 | 0.500 | 0.125 | 1.00 | CHONS |
| 2015-05-05 | 2015-05-08 | C9H13NO8 | H | 262.056855 | 8480576 | 8480576.00 | 262.056840 | 0.0574 | -1 | 4 | 0.89 | 1.44 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H16O8S | H | 283.049326 | 11456300 | 11456300.00 | 283.049312 | 0.0504 | -1 | 2 | 0.89 | 1.78 | 0.000 | 0.111 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H12O8 | H | 247.045953 | 11133233 | 11133233.00 | 247.045941 | 0.0489 | -1 | 4 | 0.89 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H11NO8 | H | 260.041198 | 6159774 | 6159774.00 | 260.041190 | 0.0312 | -1 | 5 | 0.89 | 1.22 | 0.111 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C9H18O8S | H | 285.064962 | 4757527 | 4757527.00 | 285.064962 | 0.0007 | -1 | 1 | 0.89 | 2.00 | 0.000 | 0.111 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H10O8 | H | 245.030290 | 7603209 | 7603209.00 | 245.030291 | -0.0035 | -1 | 5 | 0.89 | 1.11 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H14O8 | H | 249.061589 | 6712765 | 6712765.00 | 249.061591 | -0.0079 | -1 | 3 | 0.89 | 1.56 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H14O8S | H | 281.033655 | 5596780 | 5596780.00 | 281.033662 | -0.0237 | -1 | 3 | 0.89 | 1.56 | 0.000 | 0.111 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H19NO9S | H | 328.070794 | 4615868 | 4615868.00 | 328.070775 | 0.0565 | -1 | 2 | 0.90 | 1.90 | 0.100 | 0.100 | 8.50 | CHONS |
| 2015-05-05 | 2015-05-08 | C10H18O9S | H | 313.059888 | 6069426 | 6069426.00 | 313.059876 | 0.0370 | -1 | 2 | 0.90 | 1.80 | 0.000 | 0.100 | 0.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C10H13NO9 | H | 290.051764 | 5065560 | 5065560.00 | 290.051755 | 0.0325 | -1 | 5 | 0.90 | 1.30 | 0.100 | 0.000 | 0.00 | CHON |
| 2015-05-05 | 2015-05-08 | C10H14O9 | H | 277.056514 | 5227840 | 5227840.00 | 277.056506 | 0.0303 | -1 | 4 | 0.90 | 1.40 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C10H12O9 | H | 275.040846 | 7253178 | 7253178.00 | 275.040856 | -0.0347 | -1 | 5 | 0.90 | 1.20 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C13H7N3O12 | H | 395.995777 | 9856151 | 9856151.00 | 395.995696 | 0.2039 | -1 | 12 | 0.92 | 0.54 | 0.231 | 0.000 | 0.75 | CHON |
| 2015-05-05 | 2015-05-08 | C7H12O7S | H | 239.023111 | 5431447 | 5431447.00 | 239.023097 | 0.0587 | -1 | 2 | 1.00 | 1.71 | 0.000 | 0.143 | 6.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H10O9 | H | 261.025218 | 5613172 | 5613172.00 | 261.025205 | 0.0480 | -1 | 5 | 1.00 | 1.11 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H12O8 | H | 235.045953 | 6856704 | 6856704.00 | 235.045941 | 0.0514 | -1 | 3 | 1.00 | 1.50 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H12O9 | H | 263.040866 | 4302833 | 4302833.00 | 263.040856 | 0.0398 | -1 | 4 | 1.00 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H14O8S | H | 269.033672 | 8538866 | 8538866.00 | 269.033662 | 0.0384 | -1 | 2 | 1.00 | 1.75 | 0.000 | 0.125 | 7.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C7H15NO7S | H | 256.049656 | 5771612 | 5771612.00 | 256.049646 | 0.0387 | -1 | 1 | 1.00 | 2.14 | 0.143 | 0.143 | 3.75 | CHONS |
| 2015-05-05 | 2015-05-08 | C8H16O8S | H | 271.049321 | 4371359 | 4371359.00 | 271.049312 | 0.0342 | -1 | 1 | 1.00 | 2.00 | 0.000 | 0.125 | 8.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C7H8O7 | H | 203.019735 | 4729595 | 4729595.00 | 203.019726 | 0.0435 | -1 | 4 | 1.00 | 1.14 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C6H12O6S | H | 211.028191 | 11205633 | 11205633.00 | 211.028182 | 0.0410 | -1 | 1 | 1.00 | 2.00 | 0.000 | 0.167 | 6.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C7H10O7 | H | 205.035382 | 6826733 | 6826733.00 | 205.035376 | 0.0282 | -1 | 3 | 1.00 | 1.43 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H13NO7S | H | 254.034001 | 4345499 | 4345499.00 | 254.033996 | 0.0196 | -1 | 2 | 1.00 | 1.86 | 0.143 | 0.143 | 3.25 | CHONS |
| 2015-05-05 | 2015-05-08 | C7H14O7S | H | 241.038751 | 11370454 | 11370454.00 | 241.038747 | 0.0164 | -1 | 1 | 1.00 | 2.00 | 0.000 | 0.143 | 7.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C6H13NO6S | H | 226.039084 | 4701457 | 4701457.00 | 226.039081 | 0.0115 | -1 | 1 | 1.00 | 2.17 | 0.167 | 0.167 | 3.25 | CHONS |
| 2015-05-05 | 2015-05-08 | C5H10O5S | H | 181.017620 | 21347304 | 21347304.00 | 181.017618 | 0.0129 | -1 | 1 | 1.00 | 2.00 | 0.000 | 0.200 | 5.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C8H15NO8S | H | 284.044561 | 6168475 | 6168475.00 | 284.044561 | 0.0011 | -1 | 2 | 1.00 | 1.88 | 0.125 | 0.125 | 3.75 | CHONS |
| 2015-05-05 | 2015-05-08 | C6H8O6 | H | 175.024811 | 7692420 | 7692420.00 | 175.024812 | -0.0031 | -1 | 3 | 1.00 | 1.33 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H11NO7 | H | 220.046274 | 7851267 | 7851267.00 | 220.046275 | -0.0057 | -1 | 3 | 1.00 | 1.57 | 0.143 | 0.000 | 4.50 | CHON |
| 2015-05-05 | 2015-05-08 | C6H9NO6 | H | 190.035709 | 6920725 | 6920725.00 | 190.035711 | -0.0083 | -1 | 3 | 1.00 | 1.50 | 0.167 | 0.000 | 3.50 | CHON |
| 2015-05-05 | 2015-05-08 | C8H11NO8 | H | 248.041187 | 6116227 | 6116227.00 | 248.041190 | -0.0116 | -1 | 4 | 1.00 | 1.38 | 0.125 | 0.000 | 4.50 | CHON |
| 2015-05-05 | 2015-05-08 | C6H11NO6 | H | 192.051357 | 4065891 | 4065891.00 | 192.051361 | -0.0189 | -1 | 2 | 1.00 | 1.83 | 0.167 | 0.000 | 4.50 | CHON |
| 2015-05-05 | 2015-05-08 | C6H10O6 | H | 177.040457 | 4261453 | 4261453.00 | 177.040462 | -0.0260 | -1 | 2 | 1.00 | 1.67 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H8O8 | H | 231.014635 | 4951137 | 4951137.00 | 231.014641 | -0.0250 | -1 | 5 | 1.00 | 1.00 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H10O8 | H | 233.030284 | 7849602 | 7849602.00 | 233.030291 | -0.0294 | -1 | 4 | 1.00 | 1.25 | 0.000 | 0.000 | 0.00 | CHO |
| 2015-05-05 | 2015-05-08 | C9H16O9S | H | 299.044218 | 6688358 | 6688358.00 | 299.044226 | -0.0279 | -1 | 2 | 1.00 | 1.78 | 0.000 | 0.111 | 8.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H17NO9S | H | 314.055113 | 4663112 | 4663112.00 | 314.055125 | -0.0394 | -1 | 2 | 1.00 | 1.89 | 0.111 | 0.111 | 4.25 | CHONS |
| 2015-05-05 | 2015-05-08 | C8H12O8S | H | 267.017992 | 6853153 | 6853153.00 | 267.018012 | -0.0734 | -1 | 3 | 1.00 | 1.50 | 0.000 | 0.125 | 6.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C9H14O9S | H | 297.028541 | 4514626 | 4514626.00 | 297.028576 | -0.1188 | -1 | 3 | 1.00 | 1.56 | 0.000 | 0.111 | 7.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C14H8O15S | H | 446.951026 | 5296623 | 5296623.00 | 446.951114 | -0.1965 | -1 | 11 | 1.07 | 0.57 | 0.000 | 0.071 | 2.50 | CHOS |
| 2015-05-05 | 2015-05-08 | C8H15NO9S | H | 300.039489 | 5644309 | 5644309.00 | 300.039475 | 0.0456 | -1 | 2 | 1.13 | 1.88 | 0.125 | 0.125 | 2.83 | CHONS |
| 2015-05-05 | 2015-05-08 | C8H12O9S | H | 283.012920 | 4513577 | 4513577.00 | 283.012926 | -0.0220 | -1 | 3 | 1.13 | 1.50 | 0.000 | 0.125 | 3.50 | CHOS |
| 2015-05-05 | 2015-05-08 | C8H14O9S | H | 285.028561 | 5842963 | 5842963.00 | 285.028576 | -0.0536 | -1 | 2 | 1.13 | 1.75 | 0.000 | 0.125 | 4.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C7H8O8 | H | 219.014660 | 3962515 | 3962515.00 | 219.014641 | 0.0878 | -1 | 4 | 1.14 | 1.14 | 0.000 | 0.000 | 4.00 | CHO |
| 2015-05-05 | 2015-05-08 | C7H14O8S | H | 257.033675 | 6142604 | 6142604.00 | 257.033662 | 0.0519 | -1 | 1 | 1.14 | 2.00 | 0.000 | 0.143 | 4.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C7H12O8S | H | 255.018022 | 5668865 | 5668865.00 | 255.018012 | 0.0408 | -1 | 2 | 1.14 | 1.71 | 0.000 | 0.143 | 3.50 | CHOS |
| 2015-05-05 | 2015-05-08 | C7H13NO8S | H | 270.028903 | 6339403 | 6339403.00 | 270.028911 | -0.0283 | -1 | 2 | 1.14 | 1.86 | 0.143 | 0.143 | 2.50 | CHONS |
| 2015-05-05 | 2015-05-08 | C7H15NO8S | H | 272.044552 | 5471211 | 5471211.00 | 272.044561 | -0.0320 | -1 | 1 | 1.14 | 2.14 | 0.143 | 0.143 | 2.83 | CHONS |
| 2015-05-05 | 2015-05-08 | C6H12O7S | H | 227.023106 | 9201330 | 9201330.00 | 227.023097 | 0.0397 | -1 | 1 | 1.17 | 2.00 | 0.000 | 0.167 | 3.50 | CHOS |
| 2015-05-05 | 2015-05-08 | C6H8O7 | H | 191.019729 | 10383882 | 10383882.00 | 191.019726 | 0.0149 | -1 | 3 | 1.17 | 1.33 | 0.000 | 0.000 | 4.00 | CHO |
| 2015-05-05 | 2015-05-08 | C6H11NO7S | H | 240.018342 | 4741188 | 4741188.00 | 240.018346 | -0.0165 | -1 | 2 | 1.17 | 1.83 | 0.167 | 0.167 | 2.17 | CHONS |
| 2015-05-05 | 2015-05-08 | C6H13NO7S | H | 242.033991 | 4559651 | 4559651.00 | 242.033996 | -0.0207 | -1 | 1 | 1.17 | 2.17 | 0.167 | 0.167 | 2.50 | CHONS |
| 2015-05-05 | 2015-05-08 | C5H10O6S | H | 197.012539 | 7335397 | 7335397.00 | 197.012532 | 0.0341 | -1 | 1 | 1.20 | 2.00 | 0.000 | 0.200 | 3.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C5H10O6S2 | H | 228.984609 | 5611929 | 5611929.00 | 228.984603 | 0.0263 | -1 | 1 | 1.20 | 2.00 | 0.000 | 0.400 | 2.33 | CHOS |
| 2015-05-05 | 2015-05-08 | C5H8O6 | H | 163.024812 | 5084416 | 5084416.00 | 163.024812 | 0.0028 | -1 | 2 | 1.20 | 1.60 | 0.000 | 0.000 | 4.00 | CHO |
| 2015-05-05 | 2015-05-08 | C8H14O10S | H | 301.023483 | 4567508 | 4567508.00 | 301.023491 | -0.0263 | -1 | 2 | 1.25 | 1.75 | 0.000 | 0.125 | 3.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C8H8N4O10 | H | 319.016694 | 9129147 | 9129147.00 | 319.016766 | -0.2258 | -1 | 7 | 1.25 | 1.00 | 0.500 | 0.000 | 0.83 | CHON |
| 2015-05-05 | 2015-05-08 | C7H13NO9S | H | 286.023831 | 5851289 | 5851289.00 | 286.023825 | 0.0201 | -1 | 2 | 1.29 | 1.86 | 0.143 | 0.143 | 2.13 | CHONS |
| 2015-05-05 | 2015-05-08 | C7H12O9S | H | 271.012921 | 4567964 | 4567964.00 | 271.012926 | -0.0193 | -1 | 2 | 1.29 | 1.71 | 0.000 | 0.143 | 2.67 | CHOS |
| 2015-05-05 | 2015-05-08 | C6H13NO8S | H | 258.028926 | 4891560 | 4891560.00 | 258.028911 | 0.0595 | -1 | 1 | 1.33 | 2.17 | 0.167 | 0.167 | 2.13 | CHONS |
| 2015-05-05 | 2015-05-08 | C6H12O8S | H | 243.018016 | 4625979 | 4625979.00 | 243.018012 | 0.0181 | -1 | 1 | 1.33 | 2.00 | 0.000 | 0.167 | 2.67 | CHOS |
| 2015-05-05 | 2015-05-08 | C6H10O8S | H | 241.002365 | 7290806 | 7290806.00 | 241.002362 | 0.0144 | -1 | 2 | 1.33 | 1.67 | 0.000 | 0.167 | 2.33 | CHOS |
| 2015-05-05 | 2015-05-08 | C6H11NO8S | H | 256.013252 | 4772176 | 4772176.00 | 256.013261 | -0.0335 | -1 | 2 | 1.33 | 1.83 | 0.167 | 0.167 | 1.88 | CHONS |
| 2015-05-05 | 2015-05-08 | C5H11NO7S | H | 228.018355 | 7179336 | 7179336.00 | 228.018346 | 0.0397 | -1 | 1 | 1.40 | 2.20 | 0.200 | 0.200 | 1.88 | CHONS |
| 2015-05-05 | 2015-05-08 | C5H10O7S | H | 213.007452 | 3997836 | 3997836.00 | 213.007447 | 0.0239 | -1 | 1 | 1.40 | 2.00 | 0.000 | 0.200 | 2.33 | CHOS |
| 2015-05-05 | 2015-05-08 | C7H12O10S | H | 287.007848 | 4757804 | 4757804.00 | 287.007841 | 0.0249 | -1 | 2 | 1.43 | 1.71 | 0.000 | 0.143 | 2.25 | CHOS |
| 2015-05-05 | 2015-05-08 | C6H10O9S | H | 256.997301 | 5202562 | 5202562.00 | 256.997276 | 0.0967 | -1 | 2 | 1.50 | 1.67 | 0.000 | 0.167 | 2.00 | CHOS |
| 2015-05-05 | 2015-05-08 | C6H11NO9S | H | 272.008158 | 5544937 | 5544937.00 | 272.008175 | -0.0632 | -1 | 2 | 1.50 | 1.83 | 0.167 | 0.167 | 1.70 | CHONS |
| 2015-05-05 | 2015-05-08 | C6H13NO9S | H | 274.023800 | 4963446 | 4963446.00 | 274.023825 | -0.0922 | -1 | 1 | 1.50 | 2.17 | 0.167 | 0.167 | 1.90 | CHONS |
| 2015-05-05 | 2015-05-08 | C5H11NO8S | H | 244.013276 | 5542191 | 5542191.00 | 244.013261 | 0.0632 | -1 | 1 | 1.60 | 2.20 | 0.200 | 0.200 | 1.70 | CHONS |
| 2015-05-05 | 2015-05-08 | C5H8O8S | H | 226.986718 | 7845501 | 7845501.00 | 226.986711 | 0.0288 | -1 | 2 | 1.60 | 1.60 | 0.000 | 0.200 | 1.75 | CHOS |
| 2015-05-05 | 2015-05-08 | C6H11NO10S | H | 288.003116 | 4387280 | 4387280.00 | 288.003090 | 0.0909 | -1 | 2 | 1.67 | 1.83 | 0.167 | 0.167 | 1.58 | CHONS |
| 2015-05-05 | 2015-05-08 | C3H6O5S2 | H | 184.958386 | 4920047 | 4920047.00 | 184.958388 | -0.0121 | -1 | 1 | 1.67 | 2.00 | 0.000 | 0.667 | 1.50 | CHOS |
| 2015-05-05 | 2015-05-08 | C5H8O9S | H | 242.981630 | 5064222 | 5064222.00 | 242.981626 | 0.0161 | -1 | 2 | 1.80 | 1.60 | 0.000 | 0.200 | 1.60 | CHOS |
| 2015-05-05 | 2015-05-08 | C5H10O9S | H | 244.997267 | 5608434 | 5608434.00 | 244.997276 | -0.0374 | -1 | 1 | 1.80 | 2.00 | 0.000 | 0.200 | 1.80 | CHOS |
| 2015-05-05 | 2015-05-08 | C6H4N4O12 | H | 322.975371 | 102950904 | 102950904.00 | 322.975295 | 0.2348 | -1 | 7 | 2.00 | 0.67 | 0.667 | 0.000 | 0.70 | CHON |
| 2015-05-05 | 2015-05-08 | *This dataset is one of the triplicate. |