1 2 3 4 5 6 7 8 9 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25
  Name Formula m/z Score (DB)
1Undecanoic acid, 3-hydroxy-, (S)- C11H22O3 225.1473 79.49
2U-51605 C20H32N2O2 350.2801 80.54
3Thermospermine C10H26N4 241.1786 97.17
4Proclavaminic acid C8H14N2O4 203.1028 79.77
5Phosphatidyl glycerol C6H15O8P 269.0392 85.35
6Oleic acid (d5) C18H29D5O2 288.2953 77.99
7N-3-oxo-hexadec-11(Z)-enoyl-L-Homoserine lactone C20H33NO4 369.2752 83.5
8Lauryl hydrogen sulfate C12H26O4S 267.1629 76.2
9Dodecanoic acid, 11-hydroxy-, (R)- C12H24O3 217.1802 86.47
10 Dihydrojasmonic Acid, Methyl Ester C13H22O3 227.1634 84.38
11Corey Lactone Aldehyde Benzoate C15H14O5 297.0727 76.35
12Arachidic acid(d3) C20H37D3O2 316.3288 97.73
139Z-Dodecen-7-ynyl acetate C14H22O2 223.1684 82.52
149-Tridecynoic acid C13H22O2 211.1692 86.71
158Z-Undecenyl acetate C13H24O2 213.185 99.6
168-oxo-3,7-Dimethyl-6E-octenyl acetate C12H20O3 213.1485 75.49
178-Methyl-undecanoic acid C12H24O2 223.1671 86.46
187-oxo-11E,13-Tetradecadienoic acid C14H22O3 239.164 85.28
194,4',alpha-Trihydroxy-2'-methoxydihydrochalcone C16H16O5 311.0894 75.69
202-Nor-1,3-seco-1α,25-dihydroxyvitamin D3 C26H44O3 427.3189 82.42
2123,23-difluoro-25-hydroxyvitamin D3 / 23,23-difluoro-25-hydroxycholecalciferol C27H42F2O2 454.3497 91.75
221-Phenylbiguanide C8H11N5 195.1345 77.8
23(6S,9R)-Vomifoliol C13H20O3 225.149 81.38
24(3S,7R)-iso-jasmonic acid C12H18O3 211.1322 82.44
25(+)-trans-alpha-Irone C14H22O 207.1736 84.93
Table 3: Identified compounds from sample TD2.
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