Schmidt, Frauke; Koch, Boris P; Elvert, Marcus; Schmidt, Gunnar; Witt, Matthias; Hinrichs, Kai-Uwe (2011): Table S3. Molecular formula, their masses, ppm, DBE, O/C and H/C values of N-bearing compounds which were present in all samples [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.764084, In supplement to: Schmidt, F et al. (2011): Diagenetic transformation of dissolved organic nitrogen compounds under contrasting sedimentary redox conditions in the Black Sea. Environmental Science & Technology, 45(12), 5223-5229, https://doi.org/10.1021/es2003414
Always quote citation above when using data! You can download the citation in several formats below.
Project(s):
Parameter(s):
| # | Name | Short Name | Unit | Principal Investigator | Method/Device | Comment |
|---|---|---|---|---|---|---|
| 1 | Molecular formula | Formula | Schmidt, Frauke | |||
| 2 | Mass-to-charge ratio | m/z | Schmidt, Frauke | |||
| 3 | Mass accuracy | Mass acc | ppm | Schmidt, Frauke | ||
| 4 | Double bond equivalent | DBE | Schmidt, Frauke | |||
| 5 | Hydrogen/Carbon ratio | H/C | Schmidt, Frauke | Calculated | ||
| 6 | Oxygen/Carbon ratio | O/C | Schmidt, Frauke | Calculated |
License:
Creative Commons Attribution 3.0 Unported (CC-BY-3.0)
Size:
1416 data points
Data
| 1 Formula | 2 m/z | 3 Mass acc [ppm] | 4 DBE | 5 H/C | 6 O/C |
|---|---|---|---|---|---|
| C11H15O7N1 | 272.07760 | 0.090 | 5 | 1.36 | 0.64 |
| C12H15O6N1 | 268.08266 | -0.003 | 6 | 1.25 | 0.50 |
| C12H15O7N1 | 284.07762 | 0.156 | 6 | 1.25 | 0.58 |
| C12H15O8N1 | 300.07252 | 0.099 | 6 | 1.25 | 0.67 |
| C12H15O9N1 | 316.06744 | 0.111 | 6 | 1.25 | 0.75 |
| C12H17O6N1 | 270.09832 | 0.033 | 5 | 1.42 | 0.50 |
| C12H17O7N1 | 286.09324 | 0.050 | 5 | 1.42 | 0.58 |
| C12H17O8N1 | 302.08817 | 0.098 | 5 | 1.42 | 0.67 |
| C12H17O9N1 | 318.08309 | 0.110 | 5 | 1.42 | 0.75 |
| C12H19O8N1 | 304.10384 | 0.163 | 4 | 1.58 | 0.67 |
| C12H19O9N1 | 320.09873 | 0.078 | 4 | 1.58 | 0.75 |
| C13H15O6N1 | 280.08269 | 0.104 | 7 | 1.15 | 0.46 |
| C13H15O7N1 | 296.07762 | 0.150 | 7 | 1.15 | 0.54 |
| C13H15O8N1 | 312.07251 | 0.063 | 7 | 1.15 | 0.62 |
| C13H15O9N1 | 328.06742 | 0.046 | 7 | 1.15 | 0.69 |
| C13H16O6N2 | 295.09355 | -0.034 | 7 | 1.23 | 0.46 |
| C13H16O7N2 | 311.08847 | -0.015 | 7 | 1.23 | 0.54 |
| C13H17O10N1 | 346.07799 | 0.059 | 6 | 1.31 | 0.77 |
| C13H17O6N1 | 282.09834 | 0.102 | 6 | 1.31 | 0.46 |
| C13H17O7N1 | 298.09328 | 0.182 | 6 | 1.31 | 0.54 |
| C13H17O8N1 | 314.08814 | -0.001 | 6 | 1.31 | 0.62 |
| C13H17O9N1 | 330.08310 | 0.137 | 6 | 1.31 | 0.69 |
| C13H19O10N1 | 348.09364 | 0.059 | 5 | 1.46 | 0.77 |
| C13H19O6N1 | 284.11400 | 0.137 | 5 | 1.46 | 0.46 |
| C13H19O7N1 | 300.10890 | 0.081 | 5 | 1.46 | 0.54 |
| C13H19O8N1 | 316.10383 | 0.125 | 5 | 1.46 | 0.62 |
| C13H19O9N1 | 332.09874 | 0.105 | 5 | 1.46 | 0.69 |
| C13H21O10N1 | 350.10932 | 0.144 | 4 | 1.62 | 0.77 |
| C13H21O7N1 | 302.12453 | 0.014 | 4 | 1.62 | 0.54 |
| C13H21O8N1 | 318.11947 | 0.093 | 4 | 1.62 | 0.62 |
| C13H21O9N1 | 334.11440 | 0.134 | 4 | 1.62 | 0.69 |
| C14H15O10N1 | 356.06239 | 0.198 | 8 | 1.07 | 0.71 |
| C14H15O7N1 | 308.07761 | 0.112 | 8 | 1.07 | 0.50 |
| C14H15O8N1 | 324.07252 | 0.092 | 8 | 1.07 | 0.57 |
| C14H15O9N1 | 340.06746 | 0.162 | 8 | 1.07 | 0.64 |
| C14H16O7N2 | 323.08853 | 0.171 | 8 | 1.14 | 0.50 |
| C14H16O8N2 | 339.08342 | 0.091 | 8 | 1.14 | 0.57 |
| C14H17O10N1 | 358.07797 | 0.001 | 7 | 1.21 | 0.71 |
| C14H17O6N1 | 294.09833 | 0.064 | 7 | 1.21 | 0.43 |
| C14H17O7N1 | 310.09325 | 0.078 | 7 | 1.21 | 0.50 |
| C14H17O8N1 | 326.08815 | 0.030 | 7 | 1.21 | 0.57 |
| C14H17O9N1 | 342.08305 | -0.014 | 7 | 1.21 | 0.64 |
| C14H18O6N2 | 309.10923 | 0.064 | 7 | 1.29 | 0.43 |
| C14H18O7N2 | 325.10413 | 0.017 | 7 | 1.29 | 0.50 |
| C14H18O8N2 | 341.09905 | 0.031 | 7 | 1.29 | 0.57 |
| C14H19O10N1 | 360.09363 | 0.029 | 6 | 1.36 | 0.71 |
| C14H19O11N1 | 376.08859 | 0.148 | 6 | 1.36 | 0.79 |
| C14H19O6N1 | 296.11401 | 0.165 | 6 | 1.36 | 0.43 |
| C14H19O7N1 | 312.10889 | 0.046 | 6 | 1.36 | 0.50 |
| C14H19O8N1 | 328.10383 | 0.121 | 6 | 1.36 | 0.57 |
| C14H19O9N1 | 344.09874 | 0.102 | 6 | 1.36 | 0.64 |
| C14H21O10N1 | 362.10935 | 0.221 | 5 | 1.50 | 0.71 |
| C14H21O11N1 | 378.10422 | 0.094 | 5 | 1.50 | 0.79 |
| C14H21O6N1 | 298.12966 | 0.163 | 5 | 1.50 | 0.43 |
| C14H21O7N1 | 314.12454 | 0.045 | 5 | 1.50 | 0.50 |
| C14H21O8N1 | 330.11948 | 0.120 | 5 | 1.50 | 0.57 |
| C14H21O9N1 | 346.11436 | 0.014 | 5 | 1.50 | 0.64 |
| C14H23O10N1 | 364.12500 | 0.220 | 4 | 1.64 | 0.71 |
| C14H23O8N1 | 332.13508 | -0.031 | 4 | 1.64 | 0.57 |
| C14H23O9N1 | 348.13005 | 0.129 | 4 | 1.64 | 0.64 |
| C15H15O10N1 | 368.06232 | 0.002 | 9 | 1.00 | 0.67 |
| C15H15O8N1 | 336.07251 | 0.059 | 9 | 1.00 | 0.53 |
| C15H15O9N1 | 352.06748 | 0.213 | 9 | 1.00 | 0.60 |
| C15H16O8N2 | 351.08342 | 0.087 | 9 | 1.07 | 0.53 |
| C15H16O9N2 | 367.07828 | -0.065 | 9 | 1.07 | 0.60 |
| C15H17O10N1 | 370.07800 | 0.082 | 8 | 1.13 | 0.67 |
| C15H17O11N1 | 386.07295 | 0.170 | 8 | 1.13 | 0.73 |
| C15H17O7N1 | 322.09325 | 0.076 | 8 | 1.13 | 0.47 |
| C15H17O8N1 | 338.08818 | 0.117 | 8 | 1.13 | 0.53 |
| C15H17O9N1 | 354.08304 | -0.042 | 8 | 1.13 | 0.60 |
| C15H18O6N2 | 321.10922 | 0.031 | 8 | 1.20 | 0.40 |
| C15H18O7N2 | 337.10416 | 0.105 | 8 | 1.20 | 0.47 |
| C15H18O8N2 | 353.09902 | -0.055 | 8 | 1.20 | 0.53 |
| C15H18O9N2 | 369.09400 | 0.125 | 8 | 1.20 | 0.60 |
| C15H19O10N1 | 372.09363 | 0.028 | 7 | 1.27 | 0.67 |
| C15H19O11N1 | 388.08859 | 0.144 | 7 | 1.27 | 0.73 |
| C15H19O6N1 | 308.11402 | 0.191 | 7 | 1.27 | 0.40 |
| C15H19O7N1 | 324.10892 | 0.136 | 7 | 1.27 | 0.47 |
| C15H19O8N1 | 340.10380 | 0.028 | 7 | 1.27 | 0.53 |
| C15H19O9N1 | 356.09872 | 0.042 | 7 | 1.27 | 0.60 |
| C15H20O6N2 | 323.12487 | 0.031 | 7 | 1.33 | 0.40 |
| C15H20O7N2 | 339.11979 | 0.045 | 7 | 1.33 | 0.47 |
| C15H20O8N2 | 355.11471 | 0.058 | 7 | 1.33 | 0.53 |
| C15H20O9N2 | 371.10966 | 0.151 | 7 | 1.33 | 0.60 |
| C15H21O10N1 | 374.10930 | 0.081 | 6 | 1.40 | 0.67 |
| C15H21O11N1 | 390.10421 | 0.066 | 6 | 1.40 | 0.73 |
| C15H21O6N1 | 310.12961 | -0.004 | 6 | 1.40 | 0.40 |
| C15H21O7N1 | 326.12454 | 0.044 | 6 | 1.40 | 0.47 |
| C15H21O8N1 | 342.11945 | 0.028 | 6 | 1.40 | 0.53 |
| C15H21O9N1 | 358.11441 | 0.153 | 6 | 1.40 | 0.60 |
| C15H23O10N1 | 376.12496 | 0.107 | 5 | 1.53 | 0.67 |
| C15H23O11N1 | 392.11989 | 0.142 | 5 | 1.53 | 0.73 |
| C15H23O7N1 | 328.14018 | 0.013 | 5 | 1.53 | 0.47 |
| C15H23O8N1 | 344.13510 | 0.028 | 5 | 1.53 | 0.53 |
| C15H23O9N1 | 360.13006 | 0.152 | 5 | 1.53 | 0.60 |
| C15H25O10N1 | 378.14062 | 0.133 | 4 | 1.67 | 0.67 |
| C15H25O8N1 | 346.15076 | 0.056 | 4 | 1.67 | 0.53 |
| C15H25O9N1 | 362.14569 | 0.096 | 4 | 1.67 | 0.60 |
| C16H15O9N1 | 364.06747 | 0.179 | 10 | 0.94 | 0.56 |
| C16H17O10N1 | 382.07798 | 0.027 | 9 | 1.06 | 0.63 |
| C16H17O11N1 | 398.07294 | 0.140 | 9 | 1.06 | 0.69 |
| C16H17O8N1 | 350.08814 | -0.001 | 9 | 1.06 | 0.50 |
| C16H17O9N1 | 366.08310 | 0.123 | 9 | 1.06 | 0.56 |
| C16H18O8N2 | 365.09905 | 0.029 | 9 | 1.13 | 0.50 |
| C16H18O9N2 | 381.09398 | 0.068 | 9 | 1.13 | 0.56 |
| C16H19O10N1 | 384.09362 | 0.001 | 8 | 1.19 | 0.63 |
| C16H19O11N1 | 400.08852 | -0.035 | 8 | 1.19 | 0.69 |
| C16H19O7N1 | 336.10889 | 0.042 | 8 | 1.19 | 0.44 |
| C16H19O8N1 | 352.10380 | 0.027 | 8 | 1.19 | 0.50 |
| C16H19O9N1 | 368.09875 | 0.122 | 8 | 1.19 | 0.56 |
| C16H20O7N2 | 351.11976 | -0.042 | 8 | 1.25 | 0.44 |
| C16H20O8N2 | 367.11472 | 0.083 | 8 | 1.25 | 0.50 |
| C16H20O9N2 | 383.10962 | 0.042 | 8 | 1.25 | 0.56 |
| C16H21O10N1 | 386.10931 | 0.104 | 7 | 1.31 | 0.63 |
| C16H21O11N1 | 402.10418 | -0.010 | 7 | 1.31 | 0.69 |
| C16H21O12N1 | 418.09914 | 0.098 | 7 | 1.31 | 0.75 |
| C16H21O6N1 | 322.12967 | 0.182 | 7 | 1.31 | 0.38 |
| C16H21O7N1 | 338.12454 | 0.042 | 7 | 1.31 | 0.44 |
| C16H21O8N1 | 354.11946 | 0.055 | 7 | 1.31 | 0.50 |
| C16H21O9N1 | 370.11439 | 0.094 | 7 | 1.31 | 0.56 |
| C16H22O8N2 | 369.13039 | 0.137 | 7 | 1.38 | 0.50 |
| C16H23O10N1 | 388.12496 | 0.104 | 6 | 1.44 | 0.63 |
| C16H23O11N1 | 404.11993 | 0.236 | 6 | 1.44 | 0.69 |
| C16H23O12N1 | 420.11473 | -0.045 | 6 | 1.44 | 0.75 |
| C16H23O7N1 | 340.14021 | 0.100 | 6 | 1.44 | 0.44 |
| C16H23O8N1 | 356.13511 | 0.055 | 6 | 1.44 | 0.50 |
| C16H23O9N1 | 372.13007 | 0.174 | 6 | 1.44 | 0.56 |
| C16H25O10N1 | 390.14064 | 0.180 | 5 | 1.56 | 0.63 |
| C16H25O11N1 | 406.13553 | 0.112 | 5 | 1.56 | 0.69 |
| C16H25O7N1 | 342.15587 | 0.129 | 5 | 1.56 | 0.44 |
| C16H25O8N1 | 358.15078 | 0.110 | 5 | 1.56 | 0.50 |
| C16H25O9N1 | 374.14567 | 0.040 | 5 | 1.56 | 0.56 |
| C17H17O10N1 | 394.07797 | 0.001 | 10 | 1.00 | 0.59 |
| C17H17O9N1 | 378.08306 | 0.014 | 10 | 1.00 | 0.53 |
| C17H19O10N1 | 396.09362 | 0.001 | 9 | 1.12 | 0.59 |
| C17H19O11N1 | 412.08856 | 0.063 | 9 | 1.12 | 0.65 |
| C17H19O8N1 | 364.10379 | -0.001 | 9 | 1.12 | 0.47 |
| C17H19O9N1 | 380.09873 | 0.066 | 9 | 1.12 | 0.53 |
| C17H20O10N2 | 411.10454 | 0.052 | 9 | 1.18 | 0.59 |
| C17H20O8N2 | 379.11473 | 0.107 | 9 | 1.18 | 0.47 |
| C17H20O9N2 | 395.10961 | 0.015 | 9 | 1.18 | 0.53 |
| C17H21O10N1 | 398.10929 | 0.051 | 8 | 1.24 | 0.59 |
| C17H21O11N1 | 414.10421 | 0.062 | 8 | 1.24 | 0.65 |
| C17H21O12N1 | 430.09914 | 0.096 | 8 | 1.24 | 0.71 |
| C17H21O7N1 | 350.12458 | 0.155 | 8 | 1.24 | 0.41 |
| C17H21O8N1 | 366.11947 | 0.081 | 8 | 1.24 | 0.47 |
| C17H21O9N1 | 382.11440 | 0.117 | 8 | 1.24 | 0.53 |
| C17H22O8N2 | 381.13034 | 0.002 | 8 | 1.29 | 0.47 |
| C17H22O9N2 | 397.12526 | 0.015 | 8 | 1.29 | 0.53 |
| C17H23O10N1 | 400.12500 | 0.200 | 7 | 1.35 | 0.59 |
| C17H23O11N1 | 416.11990 | 0.158 | 7 | 1.35 | 0.65 |
| C17H23O12N1 | 432.11479 | 0.095 | 7 | 1.35 | 0.71 |
| C17H23O7N1 | 352.14021 | 0.097 | 7 | 1.35 | 0.41 |
| C17H23O8N1 | 368.13509 | -0.001 | 7 | 1.35 | 0.47 |
| C17H23O9N1 | 384.13004 | 0.091 | 7 | 1.35 | 0.53 |
| C17H25O10N1 | 402.14063 | 0.150 | 6 | 1.47 | 0.59 |
| C17H25O11N1 | 418.13549 | 0.014 | 6 | 1.47 | 0.65 |
| C17H25O12N1 | 434.13043 | 0.071 | 6 | 1.47 | 0.71 |
| C17H25O7N1 | 354.15585 | 0.068 | 6 | 1.47 | 0.41 |
| C17H25O8N1 | 370.15075 | 0.026 | 6 | 1.47 | 0.47 |
| C17H25O9N1 | 386.14568 | 0.064 | 6 | 1.47 | 0.53 |
| C17H27O10N1 | 404.15627 | 0.124 | 5 | 1.59 | 0.59 |
| C17H27O11N1 | 420.15116 | 0.061 | 5 | 1.59 | 0.65 |
| C17H27O8N1 | 372.16643 | 0.106 | 5 | 1.59 | 0.47 |
| C17H27O9N1 | 388.16134 | 0.089 | 5 | 1.59 | 0.53 |
| C18H19O10N1 | 408.09361 | -0.023 | 10 | 1.06 | 0.56 |
| C18H19O11N1 | 424.08849 | -0.104 | 10 | 1.06 | 0.61 |
| C18H19O9N1 | 392.09879 | 0.216 | 10 | 1.06 | 0.50 |
| C18H20O10N2 | 423.10452 | 0.003 | 10 | 1.11 | 0.56 |
| C18H21O10N1 | 410.10930 | 0.074 | 9 | 1.17 | 0.56 |
| C18H21O11N1 | 426.10423 | 0.107 | 9 | 1.17 | 0.61 |
| C18H21O12N1 | 442.09908 | -0.042 | 9 | 1.17 | 0.67 |
| C18H21O8N1 | 378.11943 | -0.027 | 9 | 1.17 | 0.44 |
| C18H21O9N1 | 394.11440 | 0.114 | 9 | 1.17 | 0.50 |
| C18H22O10N2 | 425.12017 | 0.003 | 9 | 1.22 | 0.56 |
| C18H22O9N2 | 409.12517 | -0.205 | 9 | 1.22 | 0.50 |
| C18H23O10N1 | 412.12494 | 0.049 | 8 | 1.28 | 0.56 |
| C18H23O11N1 | 428.11985 | 0.037 | 8 | 1.28 | 0.61 |
| C18H23O12N1 | 444.11478 | 0.070 | 8 | 1.28 | 0.67 |
| C18H23O7N1 | 364.14016 | -0.043 | 8 | 1.28 | 0.39 |
| C18H23O8N1 | 380.13511 | 0.051 | 8 | 1.28 | 0.44 |
| C18H23O9N1 | 396.13005 | 0.113 | 8 | 1.28 | 0.50 |
| C18H25O10N1 | 414.14055 | -0.047 | 7 | 1.39 | 0.56 |
| C18H25O11N1 | 430.13550 | 0.036 | 7 | 1.39 | 0.61 |
| C18H25O12N1 | 446.13042 | 0.047 | 7 | 1.39 | 0.67 |
| C18H25O7N1 | 366.15590 | 0.202 | 7 | 1.39 | 0.39 |
| C18H25O8N1 | 382.15073 | -0.027 | 7 | 1.39 | 0.44 |
| C18H25O9N1 | 398.14571 | 0.138 | 7 | 1.39 | 0.50 |
| C18H27O10N1 | 416.15627 | 0.120 | 6 | 1.50 | 0.56 |
| C18H27O11N1 | 432.15118 | 0.105 | 6 | 1.50 | 0.61 |
| C18H27O8N1 | 384.16640 | 0.025 | 6 | 1.50 | 0.44 |
| C18H27O9N1 | 400.16132 | 0.037 | 6 | 1.50 | 0.50 |
| C19H21O10N1 | 422.10930 | 0.072 | 10 | 1.11 | 0.53 |
| C19H21O11N1 | 438.10422 | 0.082 | 10 | 1.11 | 0.58 |
| C19H21O12N1 | 454.09910 | 0.003 | 10 | 1.11 | 0.63 |
| C19H21O9N1 | 406.11440 | 0.111 | 10 | 1.11 | 0.47 |
| C19H22O10N2 | 437.12007 | -0.225 | 10 | 1.16 | 0.53 |
| C19H23O10N1 | 424.12497 | 0.119 | 9 | 1.21 | 0.53 |
| C19H23O11N1 | 440.11983 | -0.010 | 9 | 1.21 | 0.58 |
| C19H23O12N1 | 456.11476 | 0.024 | 9 | 1.21 | 0.63 |
| C19H23O8N1 | 392.13509 | -0.001 | 9 | 1.21 | 0.42 |
| C19H23O9N1 | 408.13002 | 0.037 | 9 | 1.21 | 0.47 |
| C19H25O10N1 | 426.14055 | -0.046 | 8 | 1.32 | 0.53 |
| C19H25O11N1 | 442.13555 | 0.148 | 8 | 1.32 | 0.58 |
| C19H25O12N1 | 458.13049 | 0.198 | 8 | 1.32 | 0.63 |
| C19H25O8N1 | 394.15070 | -0.102 | 8 | 1.32 | 0.42 |
| C19H25O9N1 | 410.14569 | 0.085 | 8 | 1.32 | 0.47 |
| C19H27O10N1 | 428.15627 | 0.117 | 7 | 1.42 | 0.53 |
| C19H27O11N1 | 444.15120 | 0.147 | 7 | 1.42 | 0.58 |
| C19H27O12N1 | 460.14609 | 0.089 | 7 | 1.42 | 0.63 |
| C19H27O8N1 | 396.16637 | -0.052 | 7 | 1.42 | 0.42 |
| C19H27O9N1 | 412.16133 | 0.060 | 7 | 1.42 | 0.47 |
| C19H29O10N1 | 430.17193 | 0.140 | 6 | 1.53 | 0.53 |
| C19H29O11N1 | 446.16674 | -0.100 | 6 | 1.53 | 0.58 |
| C20H23O10N1 | 436.12491 | -0.022 | 10 | 1.15 | 0.50 |
| C20H23O11N1 | 452.11982 | -0.032 | 10 | 1.15 | 0.55 |
| C20H23O12N1 | 468.11476 | 0.024 | 10 | 1.15 | 0.60 |
| C20H25O10N1 | 438.14059 | 0.046 | 9 | 1.25 | 0.50 |
| C20H25O11N1 | 454.13551 | 0.056 | 9 | 1.25 | 0.55 |
| C20H25O12N1 | 470.13045 | 0.108 | 9 | 1.25 | 0.60 |
| C20H25O9N1 | 422.14568 | 0.059 | 9 | 1.25 | 0.45 |
| C20H27O10N1 | 440.15621 | -0.022 | 8 | 1.35 | 0.50 |
| C20H27O11N1 | 456.15121 | 0.165 | 8 | 1.35 | 0.55 |
| C20H27O12N1 | 472.14613 | 0.171 | 8 | 1.35 | 0.60 |
| C20H27O9N1 | 424.16132 | 0.035 | 8 | 1.35 | 0.45 |
| C20H29O10N1 | 442.17194 | 0.158 | 7 | 1.45 | 0.50 |
| C20H29O11N1 | 458.16683 | 0.099 | 7 | 1.45 | 0.55 |
| C20H29O12N1 | 474.16172 | 0.044 | 7 | 1.45 | 0.60 |
| C20H29O9N1 | 426.17695 | -0.012 | 7 | 1.45 | 0.45 |
| C21H25O10N1 | 450.14064 | 0.156 | 10 | 1.19 | 0.48 |
| C21H25O11N1 | 466.13548 | -0.009 | 10 | 1.19 | 0.52 |
| C21H27O10N1 | 452.15628 | 0.133 | 9 | 1.29 | 0.48 |
| C21H27O11N1 | 468.15115 | 0.033 | 9 | 1.29 | 0.52 |
| C21H27O12N1 | 484.14606 | 0.023 | 9 | 1.29 | 0.57 |
| C21H29O10N1 | 454.17195 | 0.176 | 8 | 1.38 | 0.48 |
| C21H29O11N1 | 470.16680 | 0.033 | 8 | 1.38 | 0.52 |