metabolite_name CSI-wt1 CSI-wt2 CSI-wt3 CSI-wt4 CSI-wt5 CSI-DAO1 CSI-DAO2 CSI-DAO3 CSI-DAO4 CSI-DAO5 1-Methyl-4-imidazoleacetic acid 0.0009 0.0055 0.0008 0.0014 0.0031 0.0009 0.0019 1-Methylhistidine and/or 3-Methylhistidine 0.0003 0.0003 0.0002 0.0003 0.0003 0.0003 1H-Imidazole-4-propionic acid 0.0009 0.0005 0.0008 0.0030 0.0033 0.0010 0.0026 2'-Deoxycytidine 0.0007 0.0034 0.0010 0.0019 0.0053 0.0025 0.0007 0.0006 0.0006 0.0012 2'-Deoxyguanosine 0.0020 0.0040 0.0024 0.0033 0.0075 0.0044 0.0011 0.0006 0.0008 0.0033 2,6-Diaminopimelic acid 0.0010 0.0004 0.0009 0.0004 0.0002 0.0004 0.0003 0.0006 0.0004 0.0005 2-(Creatinine-3-yl)propionic acid 0.0004 0.0006 0.0003 0.0002 0.0003 0.0003 0.0004 3-Methylguanine 0.0004 0.0005 0.0004 0.0005 0.0003 0.0004 0.0004 0.0005 0.0003 0.0004 4-(β-Acetylaminoethyl)imidazole 0.0003 0.0002 0.0002 0.0001 0.0002 5,6,7,8-Tetrahydrobiopterin 0.0003 0.0003 0.0001 0.0001 0.0002 5-Aminovaleric acid 0.0029 0.0034 0.0024 0.0110 0.0110 0.0053 5-Hydroxylysine 0.0002 0.0003 0.0003 0.0007 0.0003 0.0003 5-Methylcytosine 0.0003 0.0001 0.0001 0.0001 0.0002 0.0002 7,8-Dihydrobiopterin 0.0004 0.0001 0.0003 0.0001 0.0002 0.0002 0.0002 7-Methylguanine 0.0006 0.0010 0.0007 0.0007 0.0005 0.0007 0.0006 0.0009 0.0005 0.0007 Adenine 0.0009 0.0007 0.0002 0.0002 0.0017 0.0034 0.0029 0.0042 Adenosine 0.0002 0.0001 0.0001 0.0002 0.0004 0.0002 0.0002 ADMA 0.0006 0.0004 0.0004 0.0006 0.0003 0.0004 0.0003 0.0005 Ala 0.1200 0.1300 0.1600 0.1400 0.2100 0.2000 0.1300 0.1300 0.1100 0.2300 Allantoin 0.0030 0.0160 0.0023 0.0038 0.0091 0.0073 0.0060 0.0095 0.0063 0.0057 Arg 0.0570 0.0640 0.0640 0.0680 0.2300 0.2600 0.0370 0.0470 0.0460 0.1800 Arg-Glu 0.0004 0.0002 0.0003 0.0004 0.0005 0.0008 0.0011 Argininosuccinic acid 0.0002 0.0004 0.0003 0.0004 0.0005 0.0005 0.0003 0.0003 0.0002 0.0004 Asn 0.0250 0.0370 0.0410 0.0290 0.0530 0.0540 0.0400 0.0250 0.0170 0.0590 Asp 0.0810 0.0880 0.1200 0.0880 0.0890 0.1400 0.0910 0.0560 0.0620 0.1800 Betaine 0.0071 0.0082 0.0064 0.0053 0.0210 0.0130 0.0055 0.0062 0.0077 0.0120 Betaine aldehyde_+H2O 0.0005 0.0020 0.0014 0.0003 Biopterin 0.0003 Cadaverine 0.0001 0.0001 0.0002 0.0001 0.0001 0.0004 0.0005 0.0002 0.0004 Carboxymethyllysine 0.0010 0.0016 0.0011 0.0010 0.0012 0.0009 0.0010 0.0011 0.0015 0.0010 Carnitine 0.0022 0.0021 0.0019 0.0021 0.0047 0.0054 0.0022 0.0021 0.0018 0.0030 Choline 0.0480 0.0330 0.0740 0.0350 0.1000 0.1000 0.0660 0.0280 0.0310 0.0700 Citrulline 0.0240 0.0180 0.0290 0.0200 0.0091 0.0100 0.0270 0.0240 0.0310 0.0260 Creatine 0.0150 0.0180 0.0200 0.0250 0.0740 0.0380 0.0260 0.0120 0.0180 0.0470 Creatinine 0.0003 0.0310 0.0049 0.0078 0.0240 0.0069 0.0005 0.0027 0.0004 Cys 0.0028 0.0003 0.0034 0.0082 0.0011 0.0110 0.0016 0.0008 0.0016 0.0021 Cys-Gly 0.0009 0.0004 0.0014 0.0023 0.0001 0.0002 Cysteine glutathione disulfide 0.0011 0.0002 0.0006 0.0002 0.0034 0.0030 0.0002 0.0002 Cystine 0.0008 0.0014 0.0006 0.0002 0.0026 0.0017 0.0003 0.0002 0.0004 0.0002 Cytidine 0.0022 0.0020 0.0027 0.0023 0.0030 0.0014 0.0028 0.0050 0.0034 0.0018 Cytosine 0.0018 0.0023 0.0021 0.0013 0.0007 0.0003 0.0019 0.0014 0.0017 0.0020 Daminozide, Ala-Ala 0.0046 0.0015 0.0041 0.0032 0.0020 0.0030 0.0023 0.0038 0.0022 0.0029 Diethanolamine 0.0012 0.0005 0.0005 0.0014 0.0014 0.0006 0.0011 0.0006 0.0010 Diethylaminomalonic acid 0.0017 0.0016 0.0017 0.0018 0.0020 0.0024 0.0018 0.0017 0.0015 0.0022 Diphenylcarbazide 0.0016 0.0012 0.0009 Dyphylline 0.0014 0.0016 0.0010 0.0021 0.0020 0.0008 0.0009 0.0023 0.0008 Ethanolamine 0.0042 0.0062 0.0052 0.0052 0.0130 0.0094 0.0045 0.0048 0.0047 0.0093 GABA 0.0038 0.0029 0.0042 0.0038 0.0041 0.0053 0.0067 Galactosamine and/or Glucosamine 0.0007 0.0005 0.0004 Gln 0.0400 0.0450 0.0560 0.0520 0.0800 0.0790 0.0390 0.0380 0.0340 0.0910 Glu 0.2000 0.2100 0.2400 0.2000 0.2100 0.2700 0.2400 0.2700 0.1700 0.3200 Glu-Glu 0.0034 0.0015 0.0039 0.0038 0.0027 0.0035 0.0014 0.0017 0.0014 0.0027 Gluconolactone 0.0016 0.0066 0.0014 0.0029 0.0043 0.0160 0.0031 0.0025 0.0029 0.0022 Glutathione (GSH) 0.0019 0.0002 0.0063 0.0037 0.0039 0.0059 0.0004 0.0002 0.0002 0.0033 Glutathione (GSSG)_divalent 0.0021 0.0023 0.0004 0.0044 0.0034 0.0001 0.0003 Gly 0.1000 0.1100 0.1200 0.1000 0.1100 0.1200 0.1200 0.1000 0.0670 0.1400 Gly-Asp 0.0010 0.0013 0.0011 0.0011 0.0005 0.0015 0.0006 0.0005 0.0004 0.0010 Gly-Gly 0.0024 0.0015 0.0029 0.0028 0.0013 0.0027 0.0027 0.0035 0.0015 0.0032 Glycerol 0.1400 0.1300 0.0910 0.0990 0.0710 0.1100 0.1100 0.1000 0.1400 0.1100 Glycerophosphocholine 0.0010 0.0010 0.0011 0.0009 0.0051 0.0067 0.0007 0.0005 0.0007 0.0013 Guanine 0.0007 0.0005 0.0004 0.0028 0.0018 0.0007 Guanosine 0.0014 0.0011 0.0019 0.0016 0.0029 0.0023 0.0014 0.0027 0.0007 0.0011 His 0.0340 0.0320 0.0450 0.0320 0.0400 0.0480 0.0350 0.0340 0.0250 0.0610 His-Glu 0.0009 0.0010 0.0009 0.0007 0.0010 0.0010 0.0006 0.0006 0.0005 0.0011 Hydroxyproline 0.0008 0.0021 0.0005 0.0006 0.0006 0.0014 0.0009 0.0009 0.0011 0.0007 Hypotaurine 0.0011 0.0004 0.0011 0.0013 0.0010 0.0016 0.0008 0.0013 0.0010 0.0015 Hypoxanthine 0.0045 0.0033 0.0074 0.0021 0.0024 0.0034 0.0054 0.0089 0.0081 0.0062 Ile 0.1500 0.1200 0.2100 0.1600 0.2600 0.2600 0.1300 0.1300 0.1100 0.3000 Inosine 0.0049 0.0034 0.0027 0.0044 0.0140 0.0110 0.0042 0.0098 0.0038 0.0056 Isoglutamic acid 0.0010 0.0010 0.0004 0.0003 0.0007 Leu 0.2400 0.2300 0.3300 0.2800 0.5200 0.5000 0.2000 0.2000 0.2000 0.5300 Lys 0.1000 0.0900 0.1400 0.1200 0.2300 0.2500 0.0830 0.0960 0.0780 0.2200 Mannosamine 0.0005 0.0004 0.0009 0.0004 0.0004 0.0003 Met 0.0330 0.0270 0.0440 0.0370 0.0740 0.0730 0.0270 0.0300 0.0270 0.0730 Methionine sulfoxide 0.0011 0.0016 0.0023 0.0017 0.0019 0.0017 0.0012 0.0012 0.0010 0.0036 N-Acetylgalactosamine, N-Acetylmannosamine and/or N-Acetylglucosamine 0.0008 0.0013 0.0009 0.0014 N-Acetylhistidine 0.0004 0.0021 0.0003 0.0007 0.0011 0.0013 0.0010 0.0014 0.0011 0.0012 N-Acetyllysine 0.0052 0.0026 0.0069 0.0054 0.0061 0.0082 0.0031 0.0018 0.0019 0.0035 N-Acetylornithine 0.0020 0.0009 0.0025 0.0014 0.0013 0.0012 0.0011 0.0009 0.0008 0.0010 N-Acetylputrescine 0.0019 0.0064 0.0011 0.0017 0.0008 0.0003 0.0007 0.0019 0.0014 0.0004 N-Acetylserine 0.0017 0.0057 0.0016 0.0012 0.0010 0.0015 0.0024 0.0027 0.0072 0.0039 N1,N8-Diacetylspermidine 0.0008 0.0007 0.0005 0.0004 0.0004 0.0008 0.0013 0.0009 0.0011 N1-Acetylspermine 0.0001 0.0001 0.0001 N2-Succinylornithine 0.0004 0.0004 0.0006 0.0018 0.0008 0.0002 N6,N6,N6-Trimethyllysine 0.0006 0.0010 0.0007 0.0007 0.0012 0.0017 0.0005 0.0004 0.0003 0.0010 N6-Methyladenine 0.0005 0.0013 0.0003 0.0005 0.0006 0.0005 0.0006 0.0007 0.0006 0.0005 N8-Acetylspermidine 0.0013 0.0020 0.0012 0.0009 0.0011 0.0004 0.0005 0.0008 0.0016 0.0011 Nicotinamide 0.0012 0.0015 0.0013 0.0012 0.0037 0.0045 0.0014 0.0051 0.0024 0.0041 Nicotinic acid 0.0016 0.0020 0.0017 0.0007 0.0009 0.0012 0.0013 0.0017 0.0032 0.0018 NMN 0.0007 0.0006 0.0005 0.0002 0.0020 0.0022 0.0023 0.0003 O-Acetylcarnitine 0.0011 0.0011 0.0011 0.0009 0.0032 0.0025 0.0017 0.0011 Ophthalmic acid 0.0011 0.0012 0.0017 0.0016 0.0015 0.0020 0.0010 0.0009 0.0011 0.0015 Ornithine 0.0170 0.0066 0.0210 0.0190 0.0074 0.0094 0.0160 0.0100 0.0092 0.0270 Phe 0.0960 0.0870 0.1400 0.1100 0.2300 0.2300 0.0850 0.0720 0.0680 0.2000 Phosphorylcholine 0.0016 0.0008 0.0009 0.0022 0.0140 0.0100 0.0005 0.0005 0.0006 0.0054 Pro 0.0730 0.0950 0.1100 0.0900 0.1300 0.1400 0.0860 0.0820 0.0640 0.1500 Putrescine 0.0063 0.0004 0.0052 0.0039 0.0003 0.0040 0.0059 0.0025 0.0006 Pyridoxamine 0.0008 0.0008 0.0004 0.0006 0.0005 Pyridoxine 0.0004 0.0002 0.0004 0.0005 S-Adenosylmethionine 0.0008 0.0001 0.0006 0.0004 0.0004 0.0001 0.0004 0.0002 0.0003 0.0006 S-Lactoylglutathione 0.0002 0.0002 0.0001 0.0003 S-Methylmethionine 0.0004 0.0004 0.0003 0.0005 Sarcosine 0.0015 0.0009 0.0015 0.0009 0.0019 0.0014 0.0011 0.0019 Ser 0.0560 0.0610 0.0790 0.0670 0.1000 0.0950 0.0450 0.0450 0.0360 0.1100 Ser-Glu 0.0029 0.0024 0.0033 0.0033 0.0031 0.0042 0.0021 0.0020 0.0016 0.0038 Spermidine 0.0093 0.0097 0.0063 0.0036 0.0062 0.0031 0.0053 0.0130 0.0067 0.0150 Spermine 0.0002 0.0005 0.0004 0.0001 0.0002 0.0004 0.0002 0.0002 Stachydrine 0.0011 0.0009 0.0010 0.0007 0.0010 0.0014 0.0008 0.0004 0.0005 0.0003 Taurine 0.1300 0.1100 0.1400 0.2100 0.1500 0.1900 0.1500 0.0900 0.0650 0.0800 Thiamine 0.0005 0.0005 0.0006 0.0002 0.0004 0.0003 0.0001 0.0003 0.0002 0.0002 Thiamine phosphate 0.0001 0.0001 0.0001 0.0001 0.0002 0.0002 0.0001 Thiaproline 0.0021 0.0005 0.0110 0.0004 0.0007 0.0009 0.0002 Thr 0.0530 0.0610 0.0740 0.0620 0.0910 0.0940 0.0610 0.0550 0.0460 0.1100 Thr-Asp 0.0014 0.0008 0.0009 0.0007 0.0006 0.0007 0.0006 0.0004 0.0004 Thymidine 0.0008 0.0019 0.0008 0.0010 0.0020 0.0015 0.0007 0.0009 0.0010 0.0013 Triethanolamine 0.0005 Trimethylamine 0.0009 0.0007 0.0011 Trimethylamine N-oxide 0.0017 0.0005 0.0010 0.0003 0.0003 Trp 0.0350 0.0350 0.0470 0.0380 0.0510 0.0670 0.0450 0.0290 0.0200 0.0600 Tyr 0.0530 0.0470 0.0730 0.0600 0.1200 0.1300 0.0480 0.0470 0.0370 0.1100 Tyr-Glu 0.0011 0.0009 0.0013 0.0012 0.0019 0.0019 0.0008 0.0008 0.0007 0.0016 Tyramine 0.0009 0.0010 Tyrosine methyl ester 0.0007 0.0002 Uracil 0.0009 0.0012 0.0018 0.0016 Urea 0.2100 0.1900 0.1400 0.1500 0.1900 0.1100 0.0870 0.0180 0.0640 Uridine 0.0016 0.0018 0.0012 0.0010 0.0009 0.0008 0.0013 0.0032 0.0020 0.0010 Urocanic acid 0.0012 0.0120 0.0012 0.0021 0.0046 0.0011 0.0005 0.0016 0.0002 0.0047 Val 0.1400 0.1300 0.2000 0.1500 0.2400 0.2400 0.1400 0.1400 0.1200 0.2900 Xanthine 0.0040 0.0027 0.0092 0.0021 0.0030 0.0029 0.0037 0.0097 0.0024 0.0081 XC0001 0.0002 0.0002 0.0001 0.0001 XC0017 0.0017 0.0016 0.0015 0.0006 0.0005 0.0006 XC0040 0.0006 0.0005 0.0006 0.0003 XC0065 0.0004 0.0002 0.0002 0.0004 0.0003 0.0004 XC0120 0.0009 0.0007 0.0005 0.0001 0.0009 0.0005 0.0002 0.0001 0.0002 0.0000 XC0126 0.0010 0.0003 0.0022 0.0005 0.0003 0.0004 0.0002 β-Ala 0.0007 0.0004 0.0007 0.0005 0.0006 0.0009 0.0005 0.0007 β-Ala-Lys 0.0004 0.0006 0.0006 0.0014 0.0020 0.0007 γ-Butyrobetaine 0.0006 0.0004 0.0006 0.0004 0.0011 0.0008 0.0003 0.0004 0.0005 0.0004 γ-Glu-Cys 0.0008 0.0002 0.0003 0.0011 0.0015 0.0016 0.0005 0.0003 0.0001 0.0024 γ-Glu-Val-Gly 0.0016 0.0006 0.0013 0.0007 0.0018 0.0011 0.0011 0.0013 0.0008 2-Hydroxy-4-methylvaleric acid 0.0002 0.0018 0.0002 0.0002 0.0003 0.0005 0.0008 0.0007 0.0009 0.0002 2-Hydroxyglutaric acid 0.0001 0.0002 0.0002 2-Hydroxyvaleric acid 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 3'-CMP and/or 2'-CMP 0.0000 0.0001 0.0001 3-Hydroxybutyric acid 0.0003 0.0004 0.0003 0.0003 0.0008 0.0005 0.0004 0.0006 0.0007 3-Indoxylsulfuric acid 0.0006 0.0090 0.0003 0.0022 0.0020 0.0006 0.0010 0.0011 0.0006 0.0010 3-Ureidopropionic acid 0.0001 0.0006 0.0001 4-Acetamidobutanoic acid 0.0001 4-Methyl-2-oxovaleric acid and/or 3-Methyl-2-oxovaleric acid 0.0004 0.0005 0.0003 0.0004 0.0008 0.0004 0.0003 0.0004 0.0004 4-Pyridoxic acid 0.0004 0.0009 0.0004 0.0003 0.0004 0.0002 0.0003 0.0004 0.0003 0.0007 5-Oxoproline 0.0008 0.0025 0.0008 0.0016 0.0012 0.0025 0.0010 0.0009 0.0011 0.0016 8-Hydroxyoctanoic acid and/or 2-Hydroxyoctanoic acid 0.0000 0.0000 0.0000 ADP 0.0000 0.0001 0.0000 ADP-ribose 0.0001 0.0004 0.0001 0.0001 0.0001 Allantoic acid 0.0001 0.0036 0.0003 0.0002 0.0002 0.0001 0.0001 0.0001 AMP 0.0006 0.0002 0.0003 0.0004 0.0004 0.0012 0.0004 0.0002 0.0002 0.0008 Ascorbate 2-sulfate 0.0007 0.0001 0.0004 0.0001 0.0001 0.0002 0.0001 0.0001 Azelaic acid 0.0002 0.0002 0.0001 0.0002 0.0002 0.0001 0.0002 0.0001 cGMP 0.0001 0.0001 Citric acid 0.0019 0.0020 0.0013 0.0012 0.0017 0.0030 0.0025 0.0026 0.0023 0.0019 CMP 0.0007 0.0003 0.0008 0.0006 0.0006 0.0008 0.0008 0.0006 0.0004 0.0011 CMP-N-acetylneuraminate 0.0001 0.0001 0.0001 0.0001 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 Cysteic acid 0.0000 0.0000 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 Cysteinesulfinic acid 0.0001 0.0000 0.0001 0.0001 0.0002 0.0000 dAMP 0.0003 0.0004 0.0003 0.0006 0.0010 0.0012 0.0001 0.0000 0.0006 dCMP 0.0005 0.0009 0.0005 0.0010 0.0020 0.0021 0.0001 0.0000 0.0001 0.0013 Desthiobiotin 0.0001 Digalacturonic acid 0.0001 0.0003 0.0001 0.0001 0.0001 0.0001 dTMP 0.0007 0.0011 0.0006 0.0015 0.0029 0.0032 0.0002 0.0001 0.0001 0.0017 Ethanolamine phosphate 0.0002 0.0000 0.0000 0.0003 0.0013 0.0015 0.0000 0.0002 Ethyl glucuronide 0.0003 0.0003 0.0003 0.0002 0.0002 0.0003 0.0004 0.0003 0.0004 Formiminoglutamic acid 0.0002 0.0001 0.0001 0.0001 0.0002 0.0002 0.0003 0.0002 0.0002 Fructose 6-phosphate 0.0001 0.0002 0.0001 Fumaric acid 0.0005 0.0006 0.0005 0.0007 0.0005 0.0005 0.0006 Galacturonic acid-3 0.0002 0.0006 0.0004 0.0010 0.0003 0.0003 Glucaric acid 0.0005 0.0032 0.0004 0.0015 0.0008 0.0063 0.0015 0.0008 0.0013 0.0007 Gluconic acid 0.0012 0.0069 0.0011 0.0034 0.0025 0.0220 0.0023 0.0016 0.0026 0.0012 Glucose 1-phosphate 0.0001 0.0001 0.0001 0.0001 Glucose 6-phosphate 0.0003 0.0001 0.0002 0.0001 0.0007 0.0003 0.0001 0.0001 Glucuronic acid-1 and/or Galacturonic acid-1 0.0015 0.0036 0.0012 0.0019 0.0012 0.0005 0.0006 0.0017 0.0007 0.0010 Glucuronic acid-2 and/or Galacturonic acid-2 0.0016 0.0017 0.0018 0.0038 0.0074 0.0032 0.0022 0.0040 0.0034 0.0016 Glyceric acid 0.0019 0.0031 0.0015 0.0007 0.0007 0.0008 0.0019 0.0019 0.0035 0.0025 Glycerol 3-phosphate 0.0004 0.0001 0.0004 0.0003 0.0007 0.0014 0.0004 0.0002 0.0001 0.0007 Glyoxylic acid 0.0003 GMP 0.0002 0.0002 0.0001 0.0000 0.0001 0.0001 0.0001 0.0001 0.0001 Hexanoic acid 0.0001 Homovanillic acid 0.0003 0.0012 0.0003 0.0006 0.0003 0.0003 0.0005 0.0008 0.0017 0.0006 IMP 0.0001 Isethionic acid 0.0009 0.0043 0.0007 0.0023 0.0027 0.0009 0.0012 0.0010 0.0009 0.0012 Isobutyric acid and/or Butyric acid 0.0028 0.0007 0.0018 0.0011 0.0008 0.0027 0.0043 0.0031 0.0083 0.0010 Isocitric acid 0.0006 0.0006 0.0005 Isovaleric acid and/or Valeric acid 0.0004 0.0003 0.0003 0.0005 0.0003 Isovalerylalanine and/or N-Acetylleucine 0.0001 0.0002 0.0001 0.0001 0.0001 0.0002 0.0001 0.0002 0.0002 0.0001 Lactic acid 0.0092 0.1700 0.0120 0.0240 0.0210 0.0450 0.0130 0.0023 0.0290 0.0150 Lauric acid 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 Malic acid 0.0080 0.0063 0.0071 0.0087 0.0076 0.0058 0.0097 0.0082 0.0053 0.0110 Mevalonic acid 0.0001 0.0000 0.0000 0.0001 0.0001 0.0003 0.0002 0.0001 Mucic acid 0.0005 0.0019 0.0002 0.0006 0.0006 0.0019 0.0009 0.0007 0.0008 0.0005 myo-Inositol 1-phosphate and/or myo-Inositol 3-phosphate 0.0001 0.0000 0.0001 0.0004 0.0005 0.0000 0.0001 myo-Inositol 2-phosphate 0.0002 0.0000 0.0003 0.0002 0.0001 0.0006 0.0001 0.0001 0.0001 N-Acetylalanine 0.0004 0.0024 0.0005 0.0007 0.0005 0.0014 0.0005 0.0006 0.0006 0.0006 N-Acetylasparagine 0.0001 0.0006 0.0001 0.0002 0.0001 0.0002 0.0002 0.0002 0.0003 0.0003 N-Acetylaspartic acid 0.0003 0.0002 0.0002 0.0001 0.0001 0.0002 0.0006 0.0006 0.0005 0.0007 N-Acetylcysteine 0.0001 0.0001 0.0000 0.0000 0.0001 0.0000 N-Acetylglucosamine 1-phosphate 0.0002 0.0001 0.0001 0.0002 0.0003 0.0002 0.0003 0.0003 0.0003 0.0004 N-Acetylglutamic acid 0.0004 0.0006 0.0004 0.0003 0.0002 0.0004 0.0012 0.0012 0.0011 0.0015 N-Acetylglutamine 0.0002 0.0005 0.0001 0.0002 0.0001 0.0001 0.0002 0.0002 0.0002 0.0002 N-Acetylglycine 0.0002 0.0007 0.0002 0.0001 0.0002 0.0002 0.0003 0.0009 0.0003 N-Acetylmethionine 0.0005 0.0017 0.0005 0.0006 0.0005 0.0010 0.0005 0.0005 0.0004 0.0005 N-Acetylmuramic acid 0.0001 0.0002 0.0002 0.0002 0.0002 0.0004 0.0002 0.0002 N-Acetylneuraminic acid 0.0003 0.0034 0.0002 0.0002 0.0020 0.0002 0.0001 0.0003 0.0001 0.0004 N-Acetylphenylalanine 0.0001 0.0001 0.0001 0.0001 0.0000 0.0001 0.0001 0.0000 0.0001 0.0000 N-Carbamoylaspartic acid 0.0002 N-Formylmethionine 0.0002 0.0002 0.0002 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 N-Glycolylneuraminic acid 0.0002 0.0007 0.0001 0.0003 0.0008 0.0003 0.0003 0.0003 0.0002 0.0003 NAD+ 0.0001 0.0004 0.0001 0.0002 o-Coumaric acid and/or p-Coumaric acid 0.0001 0.0000 0.0001 0.0000 0.0001 O-Succinylhomoserine 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 Oxamic acid 0.0054 p-Hydroxyphenylacetic acid 0.0002 0.0003 0.0001 Pantothenic acid 0.0015 0.0012 0.0020 0.0019 0.0008 0.0023 0.0009 0.0004 0.0004 0.0006 Pelargonic acid 0.0001 0.0001 Propionic acid 0.0029 0.0012 0.0025 0.0018 0.0033 0.0028 0.0025 0.0026 Pyruvic acid 0.0030 Quinic acid 0.0002 0.0007 0.0002 0.0003 0.0003 0.0013 0.0004 0.0003 0.0004 Quinolinic acid 0.0004 0.0001 0.0001 0.0001 0.0002 0.0002 0.0003 0.0002 0.0001 Ribose 5-phosphate 0.0002 0.0001 0.0001 0.0001 0.0002 0.0001 0.0002 0.0001 0.0002 Ribulose 5-phosphate 0.0001 0.0001 0.0002 S-Sulfocysteine 0.0077 0.0043 0.0120 0.0130 0.0027 0.0094 0.0072 0.0062 0.0063 0.0240 Sedoheptulose 7-phosphate 0.0002 0.0001 Suberic acid 0.0001 0.0001 0.0002 Succinic acid 0.0130 0.0053 0.0120 0.0090 0.0049 0.0039 0.0160 0.0180 0.0170 0.0140 Terephthalic acid 0.0005 0.0005 0.0005 0.0005 0.0004 0.0005 0.0005 0.0005 0.0005 0.0005 Threonic acid 0.0007 0.0037 0.0004 0.0010 0.0011 0.0028 0.0015 0.0014 0.0015 0.0009 UDP-glucose and/or UDP-galactose 0.0000 0.0001 0.0000 0.0003 0.0001 0.0001 UDP-N-acetylgalactosamine and/or UDP-N-acetylglucosamine 0.0001 0.0001 0.0001 0.0003 0.0001 0.0001 0.0001 0.0002 UMP 0.0006 0.0001 0.0003 0.0004 0.0003 0.0007 0.0005 0.0002 0.0002 0.0008 Ureidoglycolic acid 0.0001 Uric acid 0.0029 0.0019 0.0037 0.0032 0.0027 0.0024 0.0017 0.0022 0.0019 0.0057 XA0004 0.0002 XA0012 0.0005 0.0019 0.0004 0.0004 0.0007 0.0005 0.0007 0.0006 0.0005 0.0012 XA0013 0.0004 0.0008 0.0004 0.0006 0.0002 0.0002 0.0004 0.0003 0.0002 0.0003 XA0017 0.0001 0.0000 XA0019 0.0012 0.0018 0.0012 0.0018 0.0037 0.0009 0.0014 0.0007 0.0007 0.0008 XA0033 0.0004 0.0003 0.0002 0.0006 0.0031 0.0021 0.0002 0.0002 0.0002 0.0012 XA0035 0.0002 0.0030 0.0002 0.0007 0.0035 0.0006 0.0010 0.0013 0.0008 0.0011 Xanthosine 0.0001 0.0001 0.0001 0.0001 0.0001 0.0001 0.0000 0.0000 0.0001 Xanthurenic acid 0.0004 0.0001 0.0001 0.0000 metabolite_name PubChem ID quantitated m/z migration time 1-Methyl-4-imidazoleacetic acid 75810 141.066 8.04 1-Methylhistidine and/or 3-Methylhistidine 170.093 7.24 1H-Imidazole-4-propionic acid 10105257 141.066 7.86 2'-Deoxycytidine 13711 228.099 9.2 2'-Deoxyguanosine 187790 268.105 11.32 2,6-Diaminopimelic acid 439283 191.103 8.62 2-(Creatinine-3-yl)propionic acid 186.088 10.97 3-Methylguanine 76292 166.073 8.23 4-(β-Acetylaminoethyl)imidazole 69602 154.097 8.19 5,6,7,8-Tetrahydrobiopterin 44257 242.127 9.54 5-Aminovaleric acid 138 118.087 7.8 5-Hydroxylysine 3032849 163.108 6.91 5-Methylcytosine 65040 126.067 7.55 7,8-Dihydrobiopterin 119055 240.111 10.79 7-Methylguanine 11361 166.072 7.99 Adenine 190 136.063 7.37 Adenosine 60961 268.105 9.65 ADMA 123831 203.151 7.41 Ala 602 90.056 8.8 Allantoin 204 159.052 23.04 Arg 6322 175.12 6.86 Arg-Glu 0 304.164 7.27 Argininosuccinic acid 16950 291.131 9.19 Asn 236 133.061 10.27 Asp 424 134.045 11.38 Betaine 247 118.087 11.09 Betaine aldehyde_+H2O 249 120.102 7.22 Biopterin 2380 238.095 11.72 Cadaverine 273 103.123 4.77 Carboxymethyllysine 123800 205.12 8.98 Carnitine 85 162.114 8.28 Choline 305 104.108 6.61 Citrulline 9750 176.104 10.87 Creatine 586 132.077 8.63 Creatinine 588 114.066 7.06 Cys 594 122.028 11.12 Cys-Gly 439498 179.049 8.98 Cysteine glutathione disulfide 10455148 427.098 11.48 Cystine 595 241.033 10.8 Cytidine 6175 244.095 9.45 Cytosine 597 112.052 7.01 Daminozide, Ala-Ala 161.093 9.04 Diethanolamine 8113 106.087 7.4 Diethylaminomalonic acid 81272 176.093 8.8 Diphenylcarbazide 8789 243.124 23.39 Dyphylline 3182 255.107 23.09 Ethanolamine 700 62.061 6.11 GABA 119 104.071 7.45 Galactosamine and/or Glucosamine 180.087 9.03 Gln 738 147.077 10.56 Glu 611 148.061 10.75 Glu-Glu 439500 277.105 10.72 Gluconolactone 7027 179.056 24.02 Glutathione (GSH) 124886 308.093 13.15 Glutathione (GSSG)_divalent 65359 307.085 12.04 Gly 750 76.04 8.07 Gly-Asp 97363 191.067 9.66 Gly-Gly 11163 133.061 8.14 Glycerol 753 93.055 23.05 Glycerophosphocholine 439285 258.111 22.64 Guanine 764 152.06 8.06 Guanosine 6802 284.101 12.39 His 773 156.078 7.05 His-Glu 7010583 285.12 7.33 Hydroxyproline 5810 132.067 11.9 Hypotaurine 107812 110.028 18.57 Hypoxanthine 790 137.047 10.9 Ile 791 132.103 10.01 Inosine 6021 269.089 20.12 Isoglutamic acid 73064 148.061 8.93 Leu 857 132.103 10.11 Lys 866 147.114 6.63 Mannosamine 440049 180.088 8.78 Met 876 150.059 10.53 Methionine sulfoxide 158980 166.053 11.62 N-Acetylgalactosamine, N-Acetylmannosamine and/or N-Acetylglucosamine 222.099 23.08 N-Acetylhistidine 75619 198.088 9.6 N-Acetyllysine 92907 189.125 9.5 N-Acetylornithine 439232 175.108 9.31 N-Acetylputrescine 122356 131.119 8.22 N-Acetylserine 65249 148.061 24.33 N1,N8-Diacetylspermidine 389613 230.186 10.04 N1-Acetylspermine 916 245.233 5.33 N2-Succinylornithine 127370 233.115 10.09 N6,N6,N6-Trimethyllysine 440120 189.161 6.93 N6-Methyladenine 67955 150.077 7.68 N8-Acetylspermidine 123689 188.177 6.1 Nicotinamide 936 123.056 7.15 Nicotinic acid 938 124.04 9.78 NMN 14180 335.065 21.5 O-Acetylcarnitine 439756 204.124 8.81 Ophthalmic acid 7018721 290.137 13.11 Ornithine 389 133.098 6.57 Phe 994 166.087 10.91 Phosphorylcholine 1014 184.075 21.35 Pro 614 116.071 10.62 Putrescine 1045 89.108 4.5 Pyridoxamine 1052 169.098 5.71 Pyridoxine 1054 170.082 8.32 S-Adenosylmethionine 34755 399.145 6.86 S-Lactoylglutathione 440018 380.116 13.85 S-Methylmethionine 145692 164.074 7.1 Sarcosine 1088 90.056 9.24 Ser 617 106.051 9.77 Ser-Glu 0 235.094 10.18 Spermidine 1102 146.166 4.32 Spermine 1103 203.224 4.27 Stachydrine 115244 144.103 11.35 Taurine 1123 126.023 23.03 Thiamine 1130 265.112 6.35 Thiamine phosphate 1131 345.08 10.54 Thiaproline 9934 134.028 13.95 Thr 6288 120.066 10.31 Thr-Asp 3280446 235.094 10.42 Thymidine 5789 243.1 23.09 Triethanolamine 7618 150.114 8.01 Trimethylamine 1146 60.081 5.63 Trimethylamine N-oxide 1145 76.076 6.35 Trp 1148 205.098 10.83 Tyr 1153 182.082 11.18 Tyr-Glu 0 311.126 10.97 Tyramine 5610 138.093 8.04 Tyrosine methyl ester 70652 196.098 8.93 Uracil 1174 113.034 23.08 Urea 1176 61.04 22 Uridine 6029 245.079 23.1 Urocanic acid 736715 139.051 8.04 Val 1182 118.087 9.81 Xanthine 1188 153.041 20.06 XC0001 0 72.082 6.14 XC0017 0 130.098 7.58 XC0040 0 174.088 12.04 XC0065 0 221.093 13 XC0120 0 298.053 9.24 XC0126 0 310.115 15.01 β-Ala 239 90.056 7.09 β-Ala-Lys 440638 218.151 6.55 γ-Butyrobetaine 134 146.118 7.85 γ-Glu-Cys 123938 251.071 12.73 γ-Glu-Val-Gly 0 304.151 13.25 2-Hydroxy-4-methylvaleric acid 439960 131.072 8.88 2-Hydroxyglutaric acid 43 147.03 17.02 2-Hydroxyvaleric acid 98009 117.055 9.29 3'-CMP and/or 2'-CMP 322.047 9.85 3-Hydroxybutyric acid 441 103.04 9.58 3-Indoxylsulfuric acid 10258 212.003 9.62 3-Ureidopropionic acid 111 131.047 9.31 4-Acetamidobutanoic acid 18189 144.065 8.53 4-Methyl-2-oxovaleric acid and/or 3-Methyl-2-oxovaleric acid 129.055 9.6 4-Pyridoxic acid 6723 182.046 8.82 5-Oxoproline 7405 128.036 9.55 8-Hydroxyoctanoic acid and/or 2-Hydroxyoctanoic acid 159.103 8.12 ADP 6022 426.023 10.91 ADP-ribose 445794 558.064 8.56 Allantoic acid 203 175.046 8.8 AMP 6083 346.056 9.36 Ascorbate 2-sulfate 54676864 254.981 14.33 Azelaic acid 2266 187.098 12.12 cGMP 24316 344.038 7.71 Citric acid 311 191.02 26.23 CMP 6131 322.046 9.64 CMP-N-acetylneuraminate 448209 613.144 8.24 Cysteic acid 72886 167.998 11.47 Cysteinesulfinic acid 1549098 152.004 9.68 dAMP 12599 330.062 9.45 dCMP 13945 306.05 9.81 Desthiobiotin 643 213.126 7.78 Digalacturonic acid 439694 369.068 9.61 dTMP 9700 321.05 9.63 Ethanolamine phosphate 1015 140.011 8.09 Ethyl glucuronide 18392195 221.068 7.85 Formiminoglutamic acid 439233 173.056 8.25 Fructose 6-phosphate 603 259.023 10.01 Fumaric acid 444972 115.003 25.22 Galacturonic acid-3 439215 193.036 8.44 Glucaric acid 33037 209.03 14.52 Gluconic acid 10690 195.051 8.22 Glucose 1-phosphate 65533 259.025 10.17 Glucose 6-phosphate 5958 259.022 9.89 Glucuronic acid-1 and/or Galacturonic acid-1 193.035 8.31 Glucuronic acid-2 and/or Galacturonic acid-2 193.035 8.17 Glyceric acid 439194 105.019 10.42 Glycerol 3-phosphate 439162 171.006 12.15 Glyoxylic acid 760 72.994 11.75 GMP 6804 362.052 9.24 Hexanoic acid 8892 115.077 8.98 Homovanillic acid 1738 181.051 8.34 IMP 8582 347.04 9.65 Isethionic acid 7866 124.991 11.67 Isobutyric acid and/or Butyric acid 87.045 9.89 Isocitric acid 1198 191.02 28.5 Isovaleric acid and/or Valeric acid 101.061 9.29 Isovalerylalanine and/or N-Acetylleucine 172.097 8.08 Lactic acid 612 89.025 10.79 Lauric acid 3893 199.171 7.73 Malic acid 525 133.014 21.31 Mevalonic acid 134965 147.065 8.61 Mucic acid 3037582 209.03 14.05 myo-Inositol 1-phosphate and/or myo-Inositol 3-phosphate 259.023 10.31 myo-Inositol 2-phosphate 160886 259.024 10.49 N-Acetylalanine 88064 130.051 8.96 N-Acetylasparagine 99715 173.057 8.48 N-Acetylaspartic acid 65065 174.041 14.58 N-Acetylcysteine 12035 162.023 8.98 N-Acetylglucosamine 1-phosphate 440272 300.049 9.61 N-Acetylglutamic acid 70914 188.057 13.22 N-Acetylglutamine 25561 187.073 8.18 N-Acetylglycine 10972 116.036 9.61 N-Acetylmethionine 448580 190.054 8.19 N-Acetylmuramic acid 5462244 292.105 7.37 N-Acetylneuraminic acid 439197 308.099 7.31 N-Acetylphenylalanine 74839 206.083 8.03 N-Carbamoylaspartic acid 93072 175.037 15.45 N-Formylmethionine 439750 176.039 8.67 N-Glycolylneuraminic acid 440001 324.095 7.33 NAD+ 5893 662.103 6.68 o-Coumaric acid and/or p-Coumaric acid 163.04 8.92 O-Succinylhomoserine 439406 218.067 12.25 Oxamic acid 974 88.004 13.25 p-Hydroxyphenylacetic acid 127 151.041 8.77 Pantothenic acid 6613 218.104 7.75 Pelargonic acid 8158 157.125 8.2 Propionic acid 1032 73.029 10.93 Pyruvic acid 1060 87.009 12.84 Quinic acid 6508 191.056 8.32 Quinolinic acid 1066 166.014 15.68 Ribose 5-phosphate 439167 229.012 10.62 Ribulose 5-phosphate 439184 229.012 11 S-Sulfocysteine 115015 199.969 11.28 Sedoheptulose 7-phosphate 165007 289.033 9.66 Suberic acid 10457 173.083 12.8 Succinic acid 1110 117.019 20.91 Terephthalic acid 7489 165.019 16.6 Threonic acid 5460407 135.03 9.29 UDP-glucose and/or UDP-galactose 565.049 8.71 UDP-N-acetylgalactosamine and/or UDP-N-acetylglucosamine 606.075 8.53 UMP 6030 323.029 9.86 Ureidoglycolic acid 439269 133.026 9.77 Uric acid 1175 167.021 8.99 XA0004 0 144.03 9.35 XA0012 0 166.017 9.48 XA0013 0 172.993 10.83 XA0017 0 186.112 7.89 XA0019 0 191.019 8.37 XA0033 0 242.08 7.73 XA0035 0 254.982 13.72 Xanthosine 64959 283.066 7.73 Xanthurenic acid 5699 204.031 12.64