Zark, Maren; Dittmar, Thorsten (2018): Structural fingerprints of individual molecular formulae in DOM from fragmentation experiments on a set of four marine and one freshwater environments [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.888851, In supplement to: Zark, M; Dittmar, T (2018): Universal molecular structures in natural dissolved organic matter. Nature Communications, 9(1), https://doi.org/10.1038/s41467-018-05665-9
Always quote citation above when using data! You can download the citation in several formats below.
Comment:
EVENTS:
Antarctic Bottom Water AABW (pooled sample) * LATITUDE: 30° 60' S; 25° 60' S * LONGITUDE: 30° 60' W; 39° 0' W * DEPTH: 4100 m; 4000 m * DATE: 2012-04-18; 2012-04-20 * CRUISE: ANT XXVIII/5 RV Polarstern * DEVICE: rosette sampler
Eurafrican Mediterranean Water EMW (pooled sample) * LATITUDE: 35° 14' N; 38° 45' N * LONGITUDE: 12° 54' W; 12° 37' W * DEPTH: 1000 m; 1000 m * DATE: 2012-05-08; 2012-05-09 * CRUISE: ANT XXVIII/5 RV Polarstern * DEVICE: rosette sampler
North Atlantic Deep Water NADW (pooled sample) * LATITUDE: 9° 24' N; 9° 24' N; 9° 24' N * LONGITUDE: 22° 46' W; 22° 46' W; 22° 46' W * DEPTH: 4000 m; 3000 m; 2500 m* DATE: 2012-04-30; 2012-04-30; 2012-04-30 * CRUISE: ANT XXVIII/5 RV Polarstern * DEVICE: rosette sampler
North Sea * LATITUDE: 54° 11' N * LONGITUDE: 7° 54' E * DATE: 2009-04-09 * DEPTH: 0m * LOCATION: Helgoland, North Sea * DEVICE: bucket
Lake * LATITUDE: 53° 12' N * LONGITUDE: 8° 1' E * DEPTH: 0 m * DATE: 2011-01-11 * LOCATION: Footbridge in Meyerhausen, Germany * DEVICE: Niskin Bottle
Parameter(s):
| # | Name | Short Name | Unit | Principal Investigator | Method/Device | Comment |
|---|---|---|---|---|---|---|
| 1 | Mass-to-charge ratio | m/z | Zark, Maren | of source ion | ||
| 2 | Molecular formula | Formula | Zark, Maren | of source compound | ||
| 3 | Molecular formula | Formula | Zark, Maren | of corresponding neutral loss | ||
| 4 | Relative fragment intensity | IF/Itot | Zark, Maren | Quadrupole hexapole Fourier transform ion cyclotron resonance mass spectrometry (Qh-FT-ICR-MS) | AABW | |
| 5 | Relative fragment intensity | IF/Itot | Zark, Maren | Quadrupole hexapole Fourier transform ion cyclotron resonance mass spectrometry (Qh-FT-ICR-MS) | EMW | |
| 6 | Relative fragment intensity | IF/Itot | Zark, Maren | Quadrupole hexapole Fourier transform ion cyclotron resonance mass spectrometry (Qh-FT-ICR-MS) | NADW | |
| 7 | Relative fragment intensity | IF/Itot | Zark, Maren | Quadrupole hexapole Fourier transform ion cyclotron resonance mass spectrometry (Qh-FT-ICR-MS) | North Sea | |
| 8 | Relative fragment intensity | IF/Itot | Zark, Maren | Quadrupole hexapole Fourier transform ion cyclotron resonance mass spectrometry (Qh-FT-ICR-MS) | Lake |
License:
Creative Commons Attribution 3.0 Unported (CC-BY-3.0)
Size:
2592 data points
Data
| 1 m/z (of source ion) | 2 Formula (of source compound) | 3 Formula (of corresponding neutral loss) | 4 IF/Itot (AABW) | 5 IF/Itot (EMW) | 6 IF/Itot (NADW) | 7 IF/Itot (North Sea) | 8 IF/Itot (Lake) |
|---|---|---|---|---|---|---|---|
| 365.05087 | C16H14O10 | CO2 | 0.183230 | 0.192922 | 0.188192 | 0.166908 | 0.161510 |
| 365.06210 | C15H14O9N2 | CO2 | 0.206986 | 0.187210 | 0.241899 | 0.187307 | 0.202636 |
| 365.08726 | C17H18O9 | CO2 | 0.201437 | 0.197723 | 0.193523 | 0.185110 | 0.155302 |
| 365.09063 | C14H22O9S1 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.09849 | C16H18O8N2 | CO2 | 0.218816 | 0.220212 | 0.228810 | 0.204279 | 0.163923 |
| 365.12364 | C18H22O8 | CO2 | 0.179974 | 0.179142 | 0.175801 | 0.169931 | 0.159706 |
| 365.13488 | C17H22O7N2 | CO2 | 0.182845 | 0.171970 | 0.180158 | 0.149965 | 0.113510 |
| 365.16003 | C19H26O7 | CO2 | 0.158027 | 0.158309 | 0.159074 | 0.151444 | 0.156133 |
| 365.19641 | C20H30O6 | CO2 | 0.134325 | 0.134935 | 0.150211 | 0.130100 | 0.112342 |
| 367.06652 | C16H16O10 | CO2 | 0.180272 | 0.177627 | 0.174399 | 0.168721 | 0.143682 |
| 367.07776 | C15H16O9N2 | CO2 | 0.187786 | 0.198631 | 0.206228 | 0.183978 | 0.159295 |
| 367.10291 | C17H20O9 | CO2 | 0.169581 | 0.167549 | 0.167579 | 0.160677 | 0.144953 |
| 367.11414 | C16H20O8N2 | CO2 | 0.182145 | 0.180503 | 0.183609 | 0.165236 | 0.122749 |
| 367.13929 | C18H24O8 | CO2 | 0.154603 | 0.150040 | 0.153988 | 0.147036 | 0.143267 |
| 367.15053 | C17H24O7N2 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.17568 | C19H28O7 | CO2 | 0.146400 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.21206 | C20H32O6 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.04579 | C15H14O11 | CO2 | 0.142639 | 0.150883 | 0.128329 | 0.142288 | 0.108386 |
| 369.08217 | C16H18O10 | CO2 | 0.139295 | 0.139967 | 0.136616 | 0.132697 | 0.115552 |
| 369.09341 | C15H18O9N2 | CO2 | 0.155565 | 0.167496 | 0.164397 | 0.150059 | 0.201988 |
| 369.09743 | C20H18O7 | CO2 | 0.357112 | 0.321321 | 0.318739 | 0.284340 | 0.250165 |
| 369.11856 | C17H22O9 | CO2 | 0.147108 | 0.147505 | 0.131865 | 0.141566 | 0.137518 |
| 369.12979 | C16H22O8N2 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.13381 | C21H22O6 | CO2 | 0.307644 | 0.315583 | 0.288952 | 0.317220 | 0.294182 |
| 369.15494 | C18H26O8 | CO2 | 0.120509 | 0.117624 | 0.120634 | 0.114444 | 0.108771 |
| 369.17020 | C22H26O5 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.19133 | C19H30O7 | CO2 | 0.099228 | 0.098046 | 0.096627 | 0.084530 | 0.086122 |
| 379.06652 | C17H16O10 | CO2 | 0.179844 | 0.178790 | 0.176471 | 0.160575 | 0.148362 |
| 379.06989 | C14H20O10S1 | CO2 | 0.058260 | 0.061251 | 0.072425 | 0.077978 | 0.069762 |
| 379.07776 | C16H16O9N2 | CO2 | 0.211042 | 0.220231 | 0.217605 | 0.195072 | 0.190354 |
| 379.10291 | C18H20O9 | CO2 | 0.174273 | 0.173787 | 0.172223 | 0.164252 | 0.144739 |
| 379.10628 | C15H24O9S1 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.11414 | C17H20O8N2 | CO2 | 0.180388 | 0.185792 | 0.190056 | 0.164282 | 0.151283 |
| 379.13929 | C19H24O8 | CO2 | 0.155656 | 0.151968 | 0.154169 | 0.149175 | 0.151007 |
| 379.15053 | C18H24O7N2 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.17568 | C20H28O7 | CO2 | 0.131205 | 0.127112 | 0.129746 | 0.127349 | 0.126986 |
| 379.21206 | C21H32O6 | CO2 | 0.000000 | 0.130800 | 0.107957 | 0.108984 | 0.092349 |
| 381.04579 | C16H14O11 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.08217 | C17H18O10 | CO2 | 0.165608 | 0.166978 | 0.170268 | 0.163368 | 0.138627 |
| 381.08554 | C14H22O10S1 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.09341 | C16H18O9N2 | CO2 | 0.188231 | 0.183511 | 0.186845 | 0.176576 | 0.121132 |
| 381.11856 | C18H22O9 | CO2 | 0.156391 | 0.152374 | 0.157211 | 0.189941 | 0.141903 |
| 381.12979 | C17H22O8N2 | CO2 | 0.154770 | 0.150757 | 0.163134 | 0.139723 | 0.113516 |
| 381.15494 | C19H26O8 | CO2 | 0.142941 | 0.137499 | 0.142035 | 0.135619 | 0.133462 |
| 381.19133 | C20H30O7 | CO2 | 0.117043 | 0.108419 | 0.119794 | 0.101835 | 0.091187 |
| 383.06144 | C16H16O11 | CO2 | 0.141246 | 0.142696 | 0.144116 | 0.142044 | 0.132367 |
| 383.08006 | C17H20O8S1 | CO2 | 0.075329 | 0.051152 | 0.083231 | 0.121765 | 0.098599 |
| 383.09782 | C17H20O10 | CO2 | 0.136022 | 0.138040 | 0.138119 | 0.133546 | 0.119363 |
| 383.10906 | C16H20O9N2 | CO2 | 0.175933 | 0.150109 | 0.156587 | 0.125593 | 0.113438 |
| 383.11308 | C21H20O7 | CO2 | 0.218487 | 0.269923 | 0.315559 | 0.278414 | 0.234105 |
| 383.13421 | C18H24O9 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.14544 | C17H24O8N2 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.17059 | C19H28O8 | CO2 | 0.114827 | 0.110502 | 0.115659 | 0.102988 | 0.097356 |
| 383.20698 | C20H32O7 | CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.05087 | C16H14O10 | 2CO2 | 0.162913 | 0.174488 | 0.182036 | 0.155155 | 0.145903 |
| 365.06210 | C15H14O9N2 | 2CO2 | 0.268658 | 0.216541 | 0.259391 | 0.224913 | 0.190589 |
| 365.08726 | C17H18O9 | 2CO2 | 0.110392 | 0.113454 | 0.110865 | 0.104665 | 0.090855 |
| 365.09063 | C14H22O9S1 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.09849 | C16H18O8N2 | 2CO2 | 0.128504 | 0.129873 | 0.121463 | 0.101681 | 0.076101 |
| 365.12364 | C18H22O8 | 2CO2 | 0.082885 | 0.081509 | 0.082010 | 0.074466 | 0.076133 |
| 365.13488 | C17H22O7N2 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.16003 | C19H26O7 | 2CO2 | 0.047444 | 0.047201 | 0.046938 | 0.039545 | 0.038039 |
| 365.19641 | C20H30O6 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.06652 | C16H16O10 | 2CO2 | 0.099516 | 0.101807 | 0.101566 | 0.095209 | 0.079883 |
| 367.07776 | C15H16O9N2 | 2CO2 | 0.121276 | 0.116184 | 0.130350 | 0.106816 | 0.105954 |
| 367.10291 | C17H20O9 | 2CO2 | 0.070359 | 0.068322 | 0.070207 | 0.065254 | 0.059939 |
| 367.11414 | C16H20O8N2 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.13929 | C18H24O8 | 2CO2 | 0.048047 | 0.047229 | 0.050005 | 0.044215 | 0.038691 |
| 367.15053 | C17H24O7N2 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.17568 | C19H28O7 | 2CO2 | 0.026265 | 0.031728 | 0.031942 | 0.023766 | 0.016515 |
| 367.21206 | C20H32O6 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.04579 | C15H14O11 | 2CO2 | 0.130644 | 0.127004 | 0.147988 | 0.129354 | 0.109521 |
| 369.08217 | C16H18O10 | 2CO2 | 0.072796 | 0.075845 | 0.074345 | 0.070890 | 0.062756 |
| 369.09341 | C15H18O9N2 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.09743 | C20H18O7 | 2CO2 | 0.206578 | 0.174124 | 0.181472 | 0.168044 | 0.082531 |
| 369.11856 | C17H22O9 | 2CO2 | 0.053045 | 0.052239 | 0.049251 | 0.048622 | 0.044469 |
| 369.12979 | C16H22O8N2 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.13381 | C21H22O6 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.15494 | C18H26O8 | 2CO2 | 0.027838 | 0.025863 | 0.028473 | 0.022901 | 0.018405 |
| 369.17020 | C22H26O5 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.19133 | C19H30O7 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.06652 | C17H16O10 | 2CO2 | 0.125623 | 0.117306 | 0.120471 | 0.119494 | 0.094666 |
| 379.06989 | C14H20O10S1 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.07776 | C16H16O9N2 | 2CO2 | 0.163475 | 0.164416 | 0.163309 | 0.146499 | 0.106612 |
| 379.10291 | C18H20O9 | 2CO2 | 0.085261 | 0.082226 | 0.083755 | 0.083006 | 0.077798 |
| 379.10628 | C15H24O9S1 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.11414 | C17H20O8N2 | 2CO2 | 0.084853 | 0.080510 | 0.082605 | 0.062743 | 0.040630 |
| 379.13929 | C19H24O8 | 2CO2 | 0.062043 | 0.060397 | 0.061433 | 0.058383 | 0.059830 |
| 379.15053 | C18H24O7N2 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.17568 | C20H28O7 | 2CO2 | 0.032467 | 0.030761 | 0.032337 | 0.028792 | 0.022067 |
| 379.21206 | C21H32O6 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.04579 | C16H14O11 | 2CO2 | 0.164434 | 0.155476 | 0.147027 | 0.155671 | 0.132303 |
| 381.08217 | C17H18O10 | 2CO2 | 0.085539 | 0.086916 | 0.083949 | 0.081669 | 0.067244 |
| 381.08554 | C14H22O10S1 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.09341 | C16H18O9N2 | 2CO2 | 0.091579 | 0.090503 | 0.095688 | 0.085963 | 0.051040 |
| 381.11856 | C18H22O9 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.12979 | C17H22O8N2 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.15494 | C19H26O8 | 2CO2 | 0.039146 | 0.037159 | 0.040567 | 0.032783 | 0.030805 |
| 381.19133 | C20H30O7 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.06144 | C16H16O11 | 2CO2 | 0.108620 | 0.107970 | 0.107089 | 0.095990 | 0.089049 |
| 383.08006 | C17H20O8S1 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.09782 | C17H20O10 | 2CO2 | 0.068009 | 0.066678 | 0.068972 | 0.064678 | 0.059045 |
| 383.10906 | C16H20O9N2 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.11308 | C21H20O7 | 2CO2 | 0.077756 | 0.157555 | 0.160814 | 0.099432 | 0.086634 |
| 383.13421 | C18H24O9 | 2CO2 | 0.055156 | 0.052745 | 0.058311 | 0.048268 | 0.042582 |
| 383.14544 | C17H24O8N2 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.17059 | C19H28O8 | 2CO2 | 0.024249 | 0.022044 | 0.024067 | 0.018616 | 0.015495 |
| 383.20698 | C20H32O7 | 2CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.05087 | C16H14O10 | 3CO2 | 0.172870 | 0.175095 | 0.176581 | 0.140042 | 0.082571 |
| 365.06210 | C15H14O9N2 | 3CO2 | 0.261704 | 0.196795 | 0.176527 | 0.146041 | 0.058522 |
| 365.08726 | C17H18O9 | 3CO2 | 0.059137 | 0.060400 | 0.058103 | 0.057968 | 0.044360 |
| 365.09063 | C14H22O9S1 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.09849 | C16H18O8N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.12364 | C18H22O8 | 3CO2 | 0.027863 | 0.027974 | 0.028154 | 0.023896 | 0.021062 |
| 365.13488 | C17H22O7N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.16003 | C19H26O7 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.19641 | C20H30O6 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.06652 | C16H16O10 | 3CO2 | 0.093263 | 0.092241 | 0.087848 | 0.090436 | 0.069532 |
| 367.07776 | C15H16O9N2 | 3CO2 | 0.092875 | 0.088536 | 0.089955 | 0.064459 | 0.045725 |
| 367.10291 | C17H20O9 | 3CO2 | 0.034645 | 0.034874 | 0.035166 | 0.031591 | 0.028604 |
| 367.11414 | C16H20O8N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.13929 | C18H24O8 | 3CO2 | 0.014382 | 0.014440 | 0.015275 | 0.012569 | 0.008856 |
| 367.15053 | C17H24O7N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.17568 | C19H28O7 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.21206 | C20H32O6 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.04579 | C15H14O11 | 3CO2 | 0.188136 | 0.189418 | 0.174579 | 0.031455 | 0.116748 |
| 369.08217 | C16H18O10 | 3CO2 | 0.042374 | 0.041435 | 0.044809 | 0.041183 | 0.039207 |
| 369.09341 | C15H18O9N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.09743 | C20H18O7 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.11856 | C17H22O9 | 3CO2 | 0.016674 | 0.016569 | 0.016301 | 0.013165 | 0.010365 |
| 369.12979 | C16H22O8N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.13381 | C21H22O6 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.15494 | C18H26O8 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.17020 | C22H26O5 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.19133 | C19H30O7 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.06652 | C17H16O10 | 3CO2 | 0.118060 | 0.115108 | 0.110192 | 0.102709 | 0.062022 |
| 379.06989 | C14H20O10S1 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.07776 | C16H16O9N2 | 3CO2 | 0.101984 | 0.097021 | 0.088296 | 0.078389 | 0.050199 |
| 379.10291 | C18H20O9 | 3CO2 | 0.045480 | 0.043996 | 0.045809 | 0.043519 | 0.040479 |
| 379.10628 | C15H24O9S1 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.11414 | C17H20O8N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.13929 | C19H24O8 | 3CO2 | 0.021532 | 0.020871 | 0.022595 | 0.018526 | 0.015159 |
| 379.15053 | C18H24O7N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.17568 | C20H28O7 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.21206 | C21H32O6 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.04579 | C16H14O11 | 3CO2 | 0.203792 | 0.193972 | 0.193396 | 0.152080 | 0.106586 |
| 381.08217 | C17H18O10 | 3CO2 | 0.053452 | 0.054196 | 0.051233 | 0.052327 | 0.038592 |
| 381.08554 | C14H22O10S1 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.09341 | C16H18O9N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.11856 | C18H22O9 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.12979 | C17H22O8N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.15494 | C19H26O8 | 3CO2 | 0.008610 | 0.008620 | 0.009042 | 0.006865 | 0.005434 |
| 381.19133 | C20H30O7 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.06144 | C16H16O11 | 3CO2 | 0.085106 | 0.085851 | 0.083283 | 0.078341 | 0.070410 |
| 383.08006 | C17H20O8S1 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.09782 | C17H20O10 | 3CO2 | 0.030271 | 0.029222 | 0.030680 | 0.025307 | 0.021476 |
| 383.10906 | C16H20O9N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.11308 | C21H20O7 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.13421 | C18H24O9 | 3CO2 | 0.014230 | 0.011730 | 0.015201 | 0.010401 | 0.006521 |
| 383.14544 | C17H24O8N2 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.17059 | C19H28O8 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.20698 | C20H32O7 | 3CO2 | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.05087 | C16H14O10 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.06210 | C15H14O9N2 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.08726 | C17H18O9 | H2O | 0.049093 | 0.045823 | 0.049934 | 0.036821 | 0.024806 |
| 365.09063 | C14H22O9S1 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.09849 | C16H18O8N2 | H2O | 0.058175 | 0.055024 | 0.052763 | 0.042057 | 0.043037 |
| 365.12364 | C18H22O8 | H2O | 0.039408 | 0.037041 | 0.040856 | 0.032791 | 0.028732 |
| 365.13488 | C17H22O7N2 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.16003 | C19H26O7 | H2O | 0.033190 | 0.032146 | 0.036321 | 0.032166 | 0.032074 |
| 365.19641 | C20H30O6 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.06652 | C16H16O10 | H2O | 0.071383 | 0.070723 | 0.077180 | 0.050308 | 0.040465 |
| 367.07776 | C15H16O9N2 | H2O | 0.048596 | 0.057028 | 0.066602 | 0.051184 | 0.048545 |
| 367.10291 | C17H20O9 | H2O | 0.062282 | 0.058837 | 0.063600 | 0.050747 | 0.032088 |
| 367.11414 | C16H20O8N2 | H2O | 0.079954 | 0.073928 | 0.083579 | 0.065126 | 0.048515 |
| 367.13929 | C18H24O8 | H2O | 0.051918 | 0.049030 | 0.054838 | 0.045425 | 0.036546 |
| 367.15053 | C17H24O7N2 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.17568 | C19H28O7 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.21206 | C20H32O6 | H2O | 0.046363 | 0.040951 | 0.049079 | 0.051405 | 0.065658 |
| 369.04579 | C15H14O11 | H2O | 0.071708 | 0.081231 | 0.072803 | 0.080816 | 0.065204 |
| 369.08217 | C16H18O10 | H2O | 0.104632 | 0.102498 | 0.107145 | 0.081328 | 0.046597 |
| 369.09341 | C15H18O9N2 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.09743 | C20H18O7 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.11856 | C17H22O9 | H2O | 0.000000 | 0.000000 | 0.088789 | 0.000000 | 0.000000 |
| 369.12979 | C16H22O8N2 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.13381 | C21H22O6 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.15494 | C18H26O8 | H2O | 0.072785 | 0.067892 | 0.076220 | 0.062310 | 0.044590 |
| 369.17020 | C22H26O5 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.19133 | C19H30O7 | H2O | 0.050705 | 0.057555 | 0.061892 | 0.053826 | 0.042349 |
| 379.06652 | C17H16O10 | H2O | 0.051222 | 0.053007 | 0.058632 | 0.040468 | 0.028155 |
| 379.06989 | C14H20O10S1 | H2O | 0.080374 | 0.079327 | 0.077389 | 0.056847 | 0.059788 |
| 379.07776 | C16H16O9N2 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.10291 | C18H20O9 | H2O | 0.044565 | 0.041973 | 0.046983 | 0.037282 | 0.025299 |
| 379.10628 | C15H24O9S1 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.11414 | C17H20O8N2 | H2O | 0.065781 | 0.058170 | 0.063212 | 0.058682 | 0.039734 |
| 379.13929 | C19H24O8 | H2O | 0.037658 | 0.035569 | 0.039779 | 0.034297 | 0.027835 |
| 379.15053 | C18H24O7N2 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.17568 | C20H28O7 | H2O | 0.033643 | 0.030132 | 0.033771 | 0.033175 | 0.032385 |
| 379.21206 | C21H32O6 | H2O | 0.044291 | 0.037164 | 0.039275 | 0.028901 | 0.052405 |
| 381.04579 | C16H14O11 | H2O | 0.065245 | 0.071795 | 0.074103 | 0.048115 | 0.065132 |
| 381.08217 | C17H18O10 | H2O | 0.073178 | 0.068646 | 0.074624 | 0.054239 | 0.031594 |
| 381.08554 | C14H22O10S1 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.09341 | C16H18O9N2 | H2O | 0.072784 | 0.065648 | 0.069781 | 0.068709 | 0.047966 |
| 381.11856 | C18H22O9 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.12979 | C17H22O8N2 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.15494 | C19H26O8 | H2O | 0.046850 | 0.044960 | 0.049882 | 0.041453 | 0.035300 |
| 381.19133 | C20H30O7 | H2O | 0.038883 | 0.035628 | 0.043069 | 0.037990 | 0.035071 |
| 383.06144 | C16H16O11 | H2O | 0.093944 | 0.086693 | 0.093692 | 0.073673 | 0.056527 |
| 383.08006 | C17H20O8S1 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.09782 | C17H20O10 | H2O | 0.088678 | 0.084675 | 0.092195 | 0.069778 | 0.040612 |
| 383.10906 | C16H20O9N2 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.11308 | C21H20O7 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.13421 | C18H24O9 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.14544 | C17H24O8N2 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.17059 | C19H28O8 | H2O | 0.059665 | 0.056776 | 0.064725 | 0.050045 | 0.037724 |
| 383.20698 | C20H32O7 | H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.05087 | C16H14O10 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.06210 | C15H14O9N2 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.08726 | C17H18O9 | CO2H2O | 0.045746 | 0.045745 | 0.045670 | 0.043220 | 0.035800 |
| 365.09063 | C14H22O9S1 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.09849 | C16H18O8N2 | CO2H2O | 0.069545 | 0.072257 | 0.069386 | 0.065081 | 0.042514 |
| 365.12364 | C18H22O8 | CO2H2O | 0.047360 | 0.043763 | 0.045528 | 0.043494 | 0.047648 |
| 365.13488 | C17H22O7N2 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.16003 | C19H26O7 | CO2H2O | 0.045910 | 0.041265 | 0.044694 | 0.044203 | 0.048212 |
| 365.19641 | C20H30O6 | CO2H2O | 0.048301 | 0.039180 | 0.047929 | 0.046913 | 0.041338 |
| 367.06652 | C16H16O10 | CO2H2O | 0.062778 | 0.059702 | 0.063356 | 0.056494 | 0.045586 |
| 367.07776 | C15H16O9N2 | CO2H2O | 0.077320 | 0.082590 | 0.077432 | 0.070394 | 0.073581 |
| 367.10291 | C17H20O9 | CO2H2O | 0.059377 | 0.057056 | 0.059957 | 0.054887 | 0.049278 |
| 367.11414 | C16H20O8N2 | CO2H2O | 0.097794 | 0.093602 | 0.097248 | 0.083605 | 0.046633 |
| 367.13929 | C18H24O8 | CO2H2O | 0.059383 | 0.055093 | 0.058164 | 0.054957 | 0.050876 |
| 367.15053 | C17H24O7N2 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.17568 | C19H28O7 | CO2H2O | 0.055869 | 0.059382 | 0.068564 | 0.056080 | 0.050580 |
| 367.21206 | C20H32O6 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.04579 | C15H14O11 | CO2H2O | 0.072084 | 0.070498 | 0.075131 | 0.069630 | 0.058838 |
| 369.08217 | C16H18O10 | CO2H2O | 0.083357 | 0.080512 | 0.082878 | 0.069522 | 0.057229 |
| 369.09341 | C15H18O9N2 | CO2H2O | 0.130448 | 0.133796 | 0.106755 | 0.119674 | 0.131004 |
| 369.09743 | C20H18O7 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.11856 | C17H22O9 | CO2H2O | 0.086945 | 0.079932 | 0.079328 | 0.077568 | 0.067510 |
| 369.12979 | C16H22O8N2 | CO2H2O | 0.118639 | 0.107491 | 0.115383 | 0.093107 | 0.183020 |
| 369.13381 | C21H22O6 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.15494 | C18H26O8 | CO2H2O | 0.075285 | 0.067852 | 0.073373 | 0.064310 | 0.046893 |
| 369.17020 | C22H26O5 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.19133 | C19H30O7 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.06652 | C17H16O10 | CO2H2O | 0.045132 | 0.044944 | 0.043365 | 0.041431 | 0.034064 |
| 379.06989 | C14H20O10S1 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.07776 | C16H16O9N2 | CO2H2O | 0.063488 | 0.048893 | 0.055449 | 0.062166 | 0.057658 |
| 379.10291 | C18H20O9 | CO2H2O | 0.042524 | 0.038507 | 0.042001 | 0.039364 | 0.038541 |
| 379.10628 | C15H24O9S1 | CO2H2O | 0.032929 | 0.028343 | 0.024077 | 0.013558 | 0.020461 |
| 379.11414 | C17H20O8N2 | CO2H2O | 0.073800 | 0.061898 | 0.068620 | 0.066474 | 0.054671 |
| 379.13929 | C19H24O8 | CO2H2O | 0.041791 | 0.038796 | 0.041940 | 0.039396 | 0.045680 |
| 379.15053 | C18H24O7N2 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.17568 | C20H28O7 | CO2H2O | 0.038030 | 0.034677 | 0.040284 | 0.037377 | 0.039151 |
| 379.21206 | C21H32O6 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.04579 | C16H14O11 | CO2H2O | 0.059674 | 0.065302 | 0.078089 | 0.064557 | 0.048824 |
| 381.08217 | C17H18O10 | CO2H2O | 0.055641 | 0.055328 | 0.057118 | 0.046258 | 0.037215 |
| 381.08554 | C14H22O10S1 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.09341 | C16H18O9N2 | CO2H2O | 0.078562 | 0.078710 | 0.077808 | 0.000000 | 0.057466 |
| 381.11856 | C18H22O9 | CO2H2O | 0.052424 | 0.048545 | 0.051604 | 0.376942 | 0.045994 |
| 381.12979 | C17H22O8N2 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.15494 | C19H26O8 | CO2H2O | 0.050224 | 0.046826 | 0.052392 | 0.044992 | 0.043137 |
| 381.19133 | C20H30O7 | CO2H2O | 0.043337 | 0.040675 | 0.043901 | 0.041052 | 0.031417 |
| 383.06144 | C16H16O11 | CO2H2O | 0.068356 | 0.071557 | 0.070260 | 0.055480 | 0.050957 |
| 383.08006 | C17H20O8S1 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.09782 | C17H20O10 | CO2H2O | 0.070762 | 0.066496 | 0.072041 | 0.058680 | 0.048244 |
| 383.10906 | C16H20O9N2 | CO2H2O | 0.000000 | 0.107699 | 0.110578 | 0.090266 | 0.115164 |
| 383.11308 | C21H20O7 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.13421 | C18H24O9 | CO2H2O | 0.080683 | 0.072651 | 0.083557 | 0.066579 | 0.055868 |
| 383.14544 | C17H24O8N2 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.17059 | C19H28O8 | CO2H2O | 0.059587 | 0.052686 | 0.062286 | 0.049902 | 0.033564 |
| 383.20698 | C20H32O7 | CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.05087 | C16H14O10 | 2CO2H2O | 0.062020 | 0.056889 | 0.072908 | 0.072067 | 0.060868 |
| 365.06210 | C15H14O9N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.08726 | C17H18O9 | 2CO2H2O | 0.041246 | 0.038705 | 0.041669 | 0.041638 | 0.039745 |
| 365.09063 | C14H22O9S1 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.09849 | C16H18O8N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.12364 | C18H22O8 | 2CO2H2O | 0.034140 | 0.031945 | 0.032903 | 0.034515 | 0.035327 |
| 365.13488 | C17H22O7N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 365.16003 | C19H26O7 | 2CO2H2O | 0.023571 | 0.020913 | 0.021842 | 0.020518 | 0.020352 |
| 365.19641 | C20H30O6 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.06652 | C16H16O10 | 2CO2H2O | 0.063386 | 0.063725 | 0.061747 | 0.066466 | 0.062208 |
| 367.07776 | C15H16O9N2 | 2CO2H2O | 0.099818 | 0.096452 | 0.082833 | 0.081821 | 0.063981 |
| 367.10291 | C17H20O9 | 2CO2H2O | 0.049554 | 0.047440 | 0.048848 | 0.047909 | 0.048950 |
| 367.11414 | C16H20O8N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.13929 | C18H24O8 | 2CO2H2O | 0.035411 | 0.033650 | 0.035797 | 0.032079 | 0.027747 |
| 367.15053 | C17H24O7N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 367.17568 | C19H28O7 | 2CO2H2O | 0.019981 | 0.020702 | 0.022845 | 0.017833 | 0.013286 |
| 367.21206 | C20H32O6 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.04579 | C15H14O11 | 2CO2H2O | 0.073553 | 0.062330 | 0.083283 | 0.109020 | 0.109521 |
| 369.08217 | C16H18O10 | 2CO2H2O | 0.067513 | 0.067931 | 0.069273 | 0.065725 | 0.062756 |
| 369.09341 | C15H18O9N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.09743 | C20H18O7 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.11856 | C17H22O9 | 2CO2H2O | 0.051404 | 0.048109 | 0.047220 | 0.045880 | 0.044469 |
| 369.12979 | C16H22O8N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.13381 | C21H22O6 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.15494 | C18H26O8 | 2CO2H2O | 0.028169 | 0.026701 | 0.030445 | 0.022769 | 0.018405 |
| 369.17020 | C22H26O5 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 369.19133 | C19H30O7 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.06652 | C17H16O10 | 2CO2H2O | 0.050811 | 0.056410 | 0.054361 | 0.054677 | 0.048019 |
| 379.06989 | C14H20O10S1 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.07776 | C16H16O9N2 | 2CO2H2O | 0.074921 | 0.065545 | 0.081664 | 0.074943 | 0.069823 |
| 379.10291 | C18H20O9 | 2CO2H2O | 0.042222 | 0.039166 | 0.042116 | 0.040699 | 0.044209 |
| 379.10628 | C15H24O9S1 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.11414 | C17H20O8N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.13929 | C19H24O8 | 2CO2H2O | 0.033335 | 0.031107 | 0.033565 | 0.031577 | 0.036771 |
| 379.15053 | C18H24O7N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 379.17568 | C20H28O7 | 2CO2H2O | 0.020086 | 0.017916 | 0.020578 | 0.017732 | 0.017525 |
| 379.21206 | C21H32O6 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.04579 | C16H14O11 | 2CO2H2O | 0.076889 | 0.092305 | 0.085269 | 0.096903 | 0.093368 |
| 381.08217 | C17H18O10 | 2CO2H2O | 0.061188 | 0.060672 | 0.060798 | 0.057723 | 0.054062 |
| 381.08554 | C14H22O10S1 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.09341 | C16H18O9N2 | 2CO2H2O | 0.080254 | 0.084267 | 0.089593 | 0.082763 | 0.066837 |
| 381.11856 | C18H22O9 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.12979 | C17H22O8N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 381.15494 | C19H26O8 | 2CO2H2O | 0.031866 | 0.028888 | 0.032245 | 0.026675 | 0.022947 |
| 381.19133 | C20H30O7 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.06144 | C16H16O11 | 2CO2H2O | 0.068974 | 0.066931 | 0.067782 | 0.065898 | 0.074007 |
| 383.08006 | C17H20O8S1 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.09782 | C17H20O10 | 2CO2H2O | 0.055513 | 0.054243 | 0.056150 | 0.051150 | 0.050174 |
| 383.10906 | C16H20O9N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.11308 | C21H20O7 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.13421 | C18H24O9 | 2CO2H2O | 0.045875 | 0.042893 | 0.049409 | 0.038523 | 0.032951 |
| 383.14544 | C17H24O8N2 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |
| 383.17059 | C19H28O8 | 2CO2H2O | 0.023029 | 0.018317 | 0.022943 | 0.016678 | 0.010980 |
| 383.20698 | C20H32O7 | 2CO2H2O | 0.000000 | 0.000000 | 0.000000 | 0.000000 | 0.000000 |