Metabolite list

 

  Number Compound Ret. Time(min) Observed mass(Da) Exact mass (Da) Molecular formula Main fragments Organism KEGG COMPOUND
 
  mr1085 3’,4’,5’-Tricetin 5-O-hexoside 10.05 507.1501 507.1497 C24H26O12 345.1, 329.0, 315.1, 284.1, 255.1 Triticum durum
  mr1087 di-C,C-pentosyl-apigenin 7.62 535.1438 535.1446 C25H26O13 499.3, 481.3, 433.4, 381.5, 349.7 Triticum durum
  mr1088 Tricin 5-O-hexoside derivative 9.42 535.1091 535.1082 C24H22O14 331.1, 315.0, 287.1, 270.1, 233.2 Triticum durum
  mr1089 Chrysoeriol O-malonylhexoside 10.57 549.1234 549.1239 C25H24O14 301.1, 347.1, 286.1, 177.1
  mr1090 di-C,C-pentosyl-luteolin 7.21 551.1398 551.1395 C25H26O14 497.1, 515.2, 407.1, 395.1, 365.1 Triticum durum
  mr1091 C-pentosyl-apigenin O-hexoside 8.32 565.1554 565.1552 C26H28O14 367.1, 403.0, 337.1, 313.1, 283.0 Triticum durum
  mr1092 Apigenin 7-O-rutinoside 8.39 271.2, 561.2, 543.2, 525.2, 409.2
  mr1093 Tricin O-malonylhexoside 10.52 579.1344 579.1344 C26H26O15 331.1, 535.1, 493.1, 315.2, 270.2 Triticum durum
  mr1094 C-pentosyl-luteolin O-hexoside 7.70 581.1505 581.1501 C26H28O15 383.2, 419.1, 365.2, 353.2, 329.2 Oryza sativa
  mr1095 di-C,C-hexosyl-apigenin derivative 7.37 595.1662 595.1657 C27H30O15 283.3, 577.2, 559.3, 409.3, 355.4