Metabolite list

 

  Number Compound Ret. Time(min) Observed mass(Da) Exact mass (Da) Molecular formula Main fragments Organism KEGG COMPOUND
 
  mr1415 unknown 9.11 509.1441 137.0, 347.2, 331.1, 315.0, 259.1
  mr1416 Limocitrin O-hexoside 6.27 509.1312 509.1290 C23H24O13 347.1, 331.0, 287.1, 231.2, 203.2 Sedum acre
  mr1417 LPC(1-acyl 18:3) 19.32 518.3234 518.3241 C26H48NO7P 459.3, 313.3, 184.2, 104.2, 86.2 Oryza sativa
  mr1418 LPC(1-acyl 18:2) 17.55 520.3393 520.3398 C26H50NO7P 184.2, 502.7, 182.3, 185.5 Oryza sativa
  mr1419 LPC(1-acyl 18:2) 18.03 520.3393 520.3398 C26H50NO7P 502.2, 184.1, 104.0, 107.5 Oryza sativa
  mr1420 LPC(1-acyl 18:1) 19.44 522.3554 522.3554 C26H52NO7P 184.1, 504.4, 337.3, 125.1, 104.2
  mr1421 unknown 8.17 566.4278 548.9, 322.3, 209.3, 114.2, 96.2
  mr1422 unknown 8.56 577.1552 337.1, 545.2, 397.2, 207.2, 147.2
  mr1423 3’,4’,5’-Tricetin O-malonylhexoside 12.44 345.1, 330.1, 312.1, 284.1
  mr1424 Picramnioside F 7.89 671.1970 671.1970 C33H34O15 509.0, 627.3, 609.3, 491.1, 355.1 Picramnia teapensis Tul