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Metabolite list

 

  Number Compound Ret. Time(min) Observed mass(Da) Exact mass (Da) Molecular formula Main fragments Organism KEGG COMPOUND
 
  mr1396 Tangeretin 15.42 373.1284 373.1282 C20H20O7 343.3, 297.6, 271.6, 183.5 Aspergillus niger C10190
  mr1286 Punicic acid 18.49 279.2319 279.2319 C18H30O2 95.1, 123.1, 109.1, 81.1 Punica granatum C08364
  mr1270 N-Feruloylserotonin 6.03 353.1509 353.1496 C20H20N2O4 177.2, 317.2, 145.2, 117.1, 89.2 Oryza sativa
  mr1357 Polygodial 18.62 235.1691 235.1693 C15H22O2 179.2, 91.1, 79.3 Cinnamosma madagascariensis C09712
  mr1972 1-Monopalmitin 23.20 331.2836 331.2843 C19H38O4 313.2, 285.8, 257.7, 177.3 Morinda citrifolia L
  mr1185 Phytocassane E 17.00 317.2108 317.2111 C20H28O3 299.2, 281.2 Oryza sativa
  mr1042 Phytocassane D 16.47 317.2097 317.2084 C20H28O3 173.1, 299.2, 281.2, 147.1 Oryza sativa
  mr1397 Succinyladenosine 5.18 384.1151 384.1150 C14H17N5O8 252.0, 162.2, 136.2, 148.0
  mr1585 Lupulin A 11.76 600.3381 600.3378 C30H46O11 255.3, 298.1, 265.1, 237.2, 147.2 Ajuga pseudoiva
  mr1358 Lidocaine 5.61 235.1805 235.1805 C14H22N2O 86.1 C07073