Metabolite List


ID Name RT(min) Ion Mode m/z Adduct Ion Formula Class Option
L00001 D-Proline 0.74 Positive 116.0706 [M+H]+ C5H9NO2 Carboxylic acids and derivatives Info
L00002 Creatine 0.71 Positive 132.0768 [M+H]+ C4H9N3O2 Carboxylic acids and derivatives Info
L00003 2,4-Quinolinediol 3.92 Positive 162.055 [M+H]+ C9H7NO2 Quinolines and derivatives Info
L00004 L-3-hydroxykynurenine O-sulfate 1.29 Negative 303.0292 [M-H]- C10H12N2O7S None Info
L00005 Cholic acid 9.51 Negative 407.2803 [M-H]- C24H40O5 Steroids and steroid derivatives Info
L00006 Petromyzonol sulfate 8.66 Negative 473.2579 [M-H]- C24H42O7S Steroid conjugates Info
L00007 Petromyzonamine 24-monosulfate 8.35 Negative 623.4099 [M-H]- C34H60N2O6S Steroid conjugates Info
L00008 Benzoic acid 5.15 Negative 121.0295 [M-H]- C7H6O2 Organooxygen compounds Info
L00009 Indole-2-carboxylic acid 4.23 Negative 160.0404 [M-H]- C9H7NO2 Quinolines and derivatives Info
L00010 DL-β-Leucine 1.48 Negative 130.0873 [M-H]- C6H13NO2 Carboxylic acids and derivatives Info
L00011 Terephthalic acid 4.97 Negative 165.0193 [M-H]- C8H6O4 Benzene and substituted derivatives Info
L00012 2-(acetylamino)-4-(methylthio)butanoic acid 4.38 Negative 190.0543 [M-H]- C7H13NO3S Carboxylic acids and derivatives Info
L00013 Dehydrocholic acid 8.74 Negative 401.2333 [M-H]- C24H34O5 Cholagogues and Choleretics Info
L00014 Uracil 1.06 Negative 111.02 [M-H]- C4H4N2O2 Diazines Info
L00015 Methylsuccinic acid 2.54 Negative 131.035 [M-H]- C5H8O4 Fatty Acyls Info
L00016 Xanthurenic acid 4.23 Negative 204.0302 [M-H]- C10H7NO4 Quinolines and derivatives Info
L00017 Citric acid 1.07 Negative 191.0197 [M-H]- C6H8O7 Carboxylic acids and derivatives Info
L00018 Citraconic acid 2.27 Negative 129.0193 [M-H]- C5H6O4 Fatty Acyls Info
L00019 Salicylic acid 3.05 Negative 137.0244 [M-H]- C7H6O3 Benzene and substituted derivatives Info
L00020 Azelaic acid 5.98 Negative 187.0975 [M-H]- C9H16O4 Fatty Acyls Info