Metabolite list

 

  Number Compound Ret. Time(min) Observed mass(Da) Exact mass (Da) Molecular formula Main fragments Organism KEGG COMPOUND
 
  mr1904 unknown 7.08 233.0, 189.0, 250.9, 649.4
  mr1905 unknown 10.18 331.0, 207.0, 177.0, 175.0
  mr1906 unknown 21.82 335.1, 531.4, 271.1, 253.1
  mr1907 Tricin O-hexoside derivative 10.55 729.2053 331.0, 493.2, 315.0, 567.1 Triticum durum
  mr1908 unknown 1.18 278.9, 376.9, 540.8, 316.8
  mr1909 unknown 20.70 543.4, 599.5, 335.2, 209.0
  mr1910 unknown 1.41 222.9, 209.0, 345.0, 165.9
  mr1911 unknown 6.17 607.1, 325.0, 349.0, 295.0
  mr1912 unknown 15.98 753.3981 437.1, 339.2, 527.2, 268.9
  mr1913 unknown 8.56 327.0, 720.2, 297.0