RT (s) | Neutral mass | mz | Formula | Tentative name | msms |
---|---|---|---|---|---|
536 | 129.05807 | 130.065 | C9H7N | Fragment of Desulfoglucobrasscin | 51.025, 86.101, 97.008, 105.044, 128.048 |
61 | 129.07874 | 130.086 | C6H11NO2 | Pipecolic acid | 56.05, 84.081 |
61 | 135.05613 | 136.0634 | C4H9NO4 | 65.04, 68.997, 79.043, 94.067, 110.061, 119.035 | |
59 | 137.04759 | 138.0548 | C4H8FNO3 | 51.024, 65.04, 94.067, 105.045, 110.061, 136.065 | |
530 | 162.03226 | 163.0395 | C9H6O3 | Hydroxycoumarin | 53.099, 63.023, 89.039, 105.046, 117.035, 135.044 |
57 | 196.0580 | 195.0508 | C6H12O7 | Gluconic acid | |
57 | 243.0588 | 242.0516 | C10H13NO4S | ||
535 | 448.0610 | 447.0537 | C16H20N2O9S2 | Glucobrassicin | 74.990, 96.957, 259.011 |
1536 | 451.31547 | 452.3227 | C22H46NO8 | PC(O-14:1(1E)/0:0) | |
52 | 121.91728 | 122.9245 | |||
61 | 141.11497 | 142.1222 | C8H15NO | ||
1337 | 229.24055 | 230.2478 | C14H31NO | dodecyldimethylamine oxide | 45.058, 53.04, 58.066, 62.062 |
1475 | 260.21404 | 261.2215 | C18H28O | (E)-octadec-13-en-9,11-diyn-1-ol | 67.054, 79.055, 91.055, 121.101, 135.117, 243.209 |
52 | 289.83974 | 290.847 | 94.93, 122.925, 204.87, 247.912 | ||
1779 | 312.15510 | 313.1624 | C14H26O6 | ||
1475 | 352.26186 | 353.2651 | C21H36O4 | 1-Monolinolenin | 67.055, 81.07, 135.117, 243.211, 261.221 |
1484 | 453.28690 | 454.2938 | C21H44NO7P | 1–16:0-lysoPE (1-palmitoyl-sn-glycero-3-phosphoethanolamine) | 62.061, 282.28, 313.273, 339.24, 436.283 |
1453 | 477.28644 | 478.2937 | C23H44NO7P | 1–18:2-lysoPE (1-(linoleoyl)-sn-glycero-3-phosphoethanolamine) | 62.061, 216.064, 306.282, 337.273, 460.282 |
61 | 483.20563 | 162.0758 | C23H29N7O3S | 51.024, 53.039, 82.066, 100.076, 105.046 | |
1475 | 496.30415 | 497.3123 | C27H44O8 | Polypodine B | 127.04, 183.065, 261.222, 335.258, 405.263, 479.3 |
1475 | 514.31518 | 515.3224 | C27H46O9 | ||
1416 | 517.31793 | 518.3252 | C26H48NO7P | LysoPC 18:3 | 86.097, 104.107, 124.999, 184.073, 500.308 |
1510 | 521.34918 | 522.3564 | C26H52NO7P | LysoPC 18:1 | 86.097, 104.107, 124.999, 184.073, 504.343 |
1475 | 560.31916 | 559.3119 | C28H48O11 | ||
1124 | 650.15018 | 651.1575 | C29H30O17 | Malonylapiin | 57.035, 97.029, 115.04, 127.039, 271.06, 519.114 |
1060 | 666.14474 | 667.152 | C29H30O18 | Cyanidin 3-(6''-malonylsambubioside) | 69.034, 97.029, 287.055, 535.109, 581.152 |