metabolite_name ASWFilterBlk_1 ASWFilterBlk_2 ASWFilterBlk_3 S2C_4 S2C_5 S2C_6 Aconitic Acid 53663.33333 247793.3333 40096.66667 1582582.353 707228 872150 AMP 649.0395097 12214.81713 356.153887 10575702.86 3986108.12 8996874.415 cGMP 1330 1516.666667 0 9298111.765 2089324 3304425 Citric Acid 307740 149476.6667 159876.6667 303084494.1 75066672 165274690 Cysteic Acid 0 64843.2197 119986.5772 227396380.5 106078079 188423621.6 FAD 415.0323577 0 968.2188213 3110957.028 1879630.928 4741567.534 Fructose 6 phosphate 269.3897392 2455.433073 894.729567 19567764.94 5627290.68 10804092.26 Fumaric Acid 592306.6667 270380 197056.6667 3530358.824 2017908 1462690 Gluconic Acid 686.6666667 3376.666667 2433.333333 346732658.8 47625764 143958040 Glucose 1 phosphate 699476.6667 874626.6667 1846750 20957341.18 8666152 15520475 Glucose 6 phosphate 0 0 0 13168800 10228916 12462165 glycerol 3 phosphate 31046.66667 46440 11843.33333 101087247.1 30548668 48739995 GMP 0 1487.756422 0 1043450.102 322542.9677 713798.2255 Isethionic Acid 1077666.677 921674.634 1171212.44 1126643309 530636346 676954248.5 Ketoglutaric Acid 281442.7951 319994.4891 472811.441 80668690.47 24854641.82 85886503.95 Malic Acid 20667356.67 17203743.33 4504126.667 65345511.76 28582968 35290390 Methyl 3-methylthiopropionate 1147063.333 623596.6667 542650 58050358.82 21413920 30161790 Riboflavin Monophosphate 18336.66667 5910 1500 1316235.294 415848 1191445 Ribose 5 phosphate 3380.999633 7157.516153 1516.179339 7952726.382 3512278.582 4698938.932 Shikimic Acid 450 3306.666667 3030 3080217.647 955016 1905890 Succinic Acid 1056372.527 3079204.602 1798229.274 16723476.62 4484869.492 10109379.19 Sucrose 340203.3333 451120 222390 3576217.647 1142912 676680 Sulfolactic acid 273446.3899 240418.9364 652646.4563 4301647.05 1732920.55 2375818.183 Taurine 20203.28422 40779.1134 8409.05876 350729130.1 116879846 127529179.4 Thymine 7503.333333 5030 2656.666667 683711.7647 302604 146780 Trehalose 360 823.3333333 6660 2262347.059 585272 1054310 UDP-glucosamine 0 1320 343.3333333 5252564.706 1918300 3642725 UDP-glucose 706.6666667 0 0 15405482.35 10595908 18883040 Uridine 2276.666667 1710 1450 25839664.71 14832016 19259420 metabolite_name quantitated m/z KEGGNAME CHEBI MS_method KEGG ID Aconitic Acid 173.008615 cis-Aconitate; cis-Aconitic acid CHEBI:32805 HILIC_TQS_Neg C00417 AMP 346.055262 AMP; Adenosine 5'-monophosphate; Adenylic acid; Adenylate; 5'-AMP; 5'-Adenylic acid; 5'-Adenosine monophosphate; Adenosine 5'-phosphate CHEBI:16027 HILIC_TQS_Neg C00020 cGMP 344.039613 3',5'-Cyclic GMP; Guanosine 3',5'-cyclic monophosphate; Guanosine 3',5'-cyclic phosphate; Cyclic GMP; cGMP CHEBI:16356 HILIC_TQS_Neg C00942 Citric Acid 191.01918 Citrate; Citric acid; 2-Hydroxy-1,2,3-propanetricarboxylic acid; 2-Hydroxytricarballylic acid CHEBI:30769 HILIC_TQS_Neg C00158 Cysteic Acid 167.996671 L-Cysteate; L-Cysteic acid; 3-Sulfoalanine; 2-Amino-3-sulfopropionic acid CHEBI:17285 HILIC_TQS_Neg C00506 FAD 784.149317 FAD; Flavin adenine dinucleotide CHEBI:16238 HILIC_TQS_Neg C00016 Fructose 6 phosphate 259.021897 D-Fructose 6-phosphate; D-Fructose 6-phosphoric acid; Neuberg ester CHEBI:15946 HILIC_TQS_Neg C00085 Fumaric Acid 115.003135 Fumarate; Fumaric acid; trans-Butenedioic acid CHEBI:18012 HILIC_TQS_Neg C00122 Gluconic Acid 195.05048 D-Gluconic acid; D-Gluconate; D-gluco-Hexonic acid CHEBI:33198 HILIC_TQS_Neg C00257 Glucose 1 phosphate 259.021897 D-Glucose 1-phosphate; alpha-D-Glucose 1-phosphate; Cori ester; D-Glucose alpha-1-phosphate CHEBI:29042 HILIC_TQS_Neg C00103 Glucose 6 phosphate 259.021897 D-Glucose 6-phosphate; Glucose 6-phosphate; Robison ester CHEBI:17665 HILIC_TQS_Neg C00092 glycerol 3 phosphate 171.005853 sn-Glycerol 3-phosphate; Glycerophosphoric acid; D-Glycerol 1-phosphate CHEBI:15978 HILIC_TQS_Neg C00093 GMP 362.050178 GMP; Guanosine 5'-phosphate; Guanosine monophosphate; Guanosine 5'-monophosphate; Guanylic acid CHEBI:17345 HILIC_TQS_Neg C00144 Isethionic Acid 124.990857 2-Hydroxyethanesulfonate; 2-Hydroxyethanesulfonic acid; 2-Hydroxyethane-1-sulfonic acid; Isethionic acid; Isethionate CHEBI:1157 HILIC_TQS_Neg C05123 Ketoglutaric Acid 145.0137 2-Oxoglutarate; Oxoglutaric acid; 2-Ketoglutaric acid; alpha-Ketoglutaric acid CHEBI:30915 HILIC_TQS_Neg C00026 Malic Acid 133.0137 (S)-Malate; L-Malate; L-Apple acid; L-Malic acid; L-2-Hydroxybutanedioic acid; Malate; Malic acid CHEBI:6650 HILIC_TQS_Neg C00149 Methyl 3-methylthiopropionate 133.032327 HILIC_TQS_Neg Riboflavin Monophosphate 455.096794 FMN; Riboflavin-5-phosphate; Flavin mononucleotide CHEBI:17621 HILIC_TQS_Neg C00061 Ribose 5 phosphate 229.011333 D-Ribose 5-phosphate; Ribose 5-phosphate CHEBI:17797 HILIC_TQS_Neg C00117 Shikimic Acid 173.045 Shikimate; Shikimic acid; 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid CHEBI:16119 HILIC_TQS_Neg C00493 Succinic Acid 117.018785 Succinate; Succinic acid; Butanedionic acid; Ethylenesuccinic acid CHEBI:15741 HILIC_TQS_Neg C00042 Sucrose 341.10839 Sucrose; Cane sugar; Saccharose; 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside CHEBI:17992 HILIC_TQS_Neg C00089 Sulfolactic acid 168.980687 3-Sulfolactate CHEBI:50519 HILIC_TQS_Neg C16069 Taurine 124.006841 Taurine; 2-Aminoethanesulfonic acid; Aminoethylsulfonic acid CHEBI:15891 HILIC_TQS_Neg C00245 Thymine 127.050753 Thymine; 5-Methyluracil CHEBI:17821 HILIC_TQS_Neg C00178 Trehalose 341.10839 alpha,alpha-Trehalose; alpha,alpha'-Trehalose; Trehalose CHEBI:16551 HILIC_TQS_Neg C01083 UDP-glucosamine 606.073753 UDP-N-acetyl-alpha-D-glucosamine; UDP-N-acetyl-D-glucosamine; UDP-N-acetylglucosamine CHEBI:16264 HILIC_TQS_Neg C00043 UDP-glucose 565.047204 UDP-glucose; UDPglucose; UDP-D-glucose; Uridine diphosphate glucose; UDP-alpha-D-glucose CHEBI:18066 HILIC_TQS_Neg C00029 Uridine 243.061713 Uridine CHEBI:16704 HILIC_TQS_Neg C00299