Mercurial > repos > malex > gait_gm
view gait_gm/test-data/metabolite_to_keggId_link_01fhl.tsv @ 0:864fc6430432 draft
Initial upload of 21.6.10 release.
| author | malex |
|---|---|
| date | Fri, 18 Jun 2021 20:21:23 +0000 |
| parents | |
| children |
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UniqueID MetName Feature_Type Matched Name_in_KEGG KEGG_ID Similarity Tie Selected Met_1 SM (OH) C16:1 Metabolite Yes Sphingomyelin cpd:C00550 0.15 No Yes Met_2 SM (OH) C22:1 Metabolite Yes Sphingomyelin cpd:C00550 0.15 No Yes Met_3 SM (OH) C22:2 Metabolite Yes Sphingomyelin cpd:C00550 0.15 No Yes Met_4 SM (OH) C24:1 Metabolite Yes Sphingomyelin cpd:C00550 0.15 No Yes Met_5 SM C16:0 Metabolite Yes Sphingomyelin cpd:C00550 0.19 No Yes Met_6 SM C16:1 Metabolite Yes Sphingomyelin cpd:C00550 0.19 No Yes Met_7 SM C18:0 Metabolite Yes Sphingomyelin cpd:C00550 0.19 No Yes Met_8 SM C18:1 Metabolite Yes Sphingomyelin cpd:C00550 0.19 No Yes Met_9 SM C22:3 Metabolite Yes Sphingomyelin cpd:C00550 0.19 No Yes Met_10 SM C24:0 Metabolite Yes Sphingomyelin cpd:C00550 0.19 No Yes Met_11 SM C24:1 Metabolite Yes Sphingomyelin cpd:C00550 0.19 No Yes Met_12 SM C26:1 Metabolite Yes Sphingomyelin cpd:C00550 0.19 No Yes Met_13 C14:1 Metabolite No NA NA NA NA NA Met_14 C16:1 Metabolite No NA NA NA NA NA Met_15 C16:1-OH Metabolite No NA NA NA NA NA Met_16 C18:1 Metabolite No NA NA NA NA NA Met_17 C18:2 Metabolite No NA NA NA NA NA Met_18 C2 Metabolite Yes PGC2 cpd:C05955 0.67 No Yes Met_19 lysoPC a C16:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.31 Yes Yes Met_19 lysoPC a C16:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.31 Yes No Met_20 lysoPC a C16:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.31 Yes Yes Met_20 lysoPC a C16:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.31 Yes No Met_21 lysoPC a C17:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.31 Yes Yes Met_21 lysoPC a C17:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.31 Yes No Met_22 lysoPC a C18:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.31 Yes Yes Met_22 lysoPC a C18:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.31 Yes No Met_23 lysoPC a C18:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.31 Yes Yes Met_23 lysoPC a C18:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.31 Yes No Met_24 lysoPC a C20:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.31 Yes Yes Met_24 lysoPC a C20:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.31 Yes No Met_25 lysoPC a C24:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.31 Yes Yes Met_25 lysoPC a C24:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.31 Yes No Met_26 lysoPC a C28:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.31 Yes Yes Met_26 lysoPC a C28:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.31 Yes No Met_27 PC aa C28:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_28 PC aa C30:0 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_29 PC aa C32:0 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_30 PC aa C32:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_31 PC aa C32:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_32 PC aa C32:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_33 PC aa C34:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_34 PC aa C34:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_35 PC aa C34:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_36 PC aa C34:4 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_37 PC aa C36:0 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_38 PC aa C36:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_39 PC aa C36:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_40 PC aa C36:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_41 PC aa C36:4 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_42 PC aa C36:5 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_43 PC aa C36:6 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_44 PC aa C38:0 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_45 PC aa C38:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_46 PC aa C38:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_47 PC aa C38:4 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_48 PC aa C38:5 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_49 PC aa C38:6 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_50 PC aa C40:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_51 PC aa C40:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_52 PC aa C40:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_53 PC aa C40:4 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_54 PC aa C40:5 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_55 PC aa C40:6 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_56 PC aa C42:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_57 PC aa C42:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_58 PC aa C42:4 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_59 PC aa C42:5 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_60 PC aa C42:6 Metabolite Yes Phosphatidylcholine cpd:C00157 0.13 No Yes Met_61 PC ae C30:0 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_62 PC ae C30:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_63 PC ae C30:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_64 PC ae C32:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_65 PC ae C32:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_66 PC ae C34:0 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_67 PC ae C34:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_68 PC ae C34:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_69 PC ae C34:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_70 PC ae C36:0 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_71 PC ae C36:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_72 PC ae C36:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_73 PC ae C36:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_74 PC ae C36:4 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_75 PC ae C36:5 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_76 PC ae C38:0 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_77 PC ae C38:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_78 PC ae C38:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_79 PC ae C38:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_80 PC ae C38:4 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_81 PC ae C38:5 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_82 PC ae C38:6 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_83 PC ae C40:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_84 PC ae C40:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_85 PC ae C40:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_86 PC ae C40:4 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_87 PC ae C40:5 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_88 PC ae C40:6 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_89 PC ae C42:0 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_90 PC ae C42:1 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_91 PC ae C42:2 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_92 PC ae C42:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_93 PC ae C42:4 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_94 PC ae C44:3 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_95 PC ae C44:4 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_96 PC ae C44:5 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_97 PC ae C44:6 Metabolite Yes Phosphatidylcholine cpd:C00157 0.2 No Yes Met_98 H1 Metabolite Yes IAARh123 cpd:C11599 0.4 No Yes Met_99 Ala Metabolite Yes L-Alanine cpd:C00041 0.5 No Yes Met_100 ADMA Metabolite Yes ADMA cpd:C03626 1.0 No Yes Met_101 Arg Metabolite Yes L-Arginine cpd:C00062 0.46 No Yes Met_102 Asn Metabolite Yes L-Asparagine cpd:C00152 0.4 No Yes Met_103 Asp Metabolite Yes L-Aspartate cpd:C00049 0.43 No Yes Met_104 Carnosine Metabolite Yes Carnosine cpd:C00386 1.0 No Yes Met_105 Cit Metabolite Yes CITCO cpd:C15639 0.75 No Yes Met_106 Creatinin Metabolite Yes Creatinine cpd:C00791 0.95 No Yes Met_107 DOPA Metabolite Yes L-Dopa cpd:C00355 0.9 No Yes Met_108 Dopamine Metabolite Yes Dopamine cpd:C03758 1.0 No Yes Met_109 Glutamine Metabolite Yes L-Glutamine cpd:C00064 0.9 No Yes Met_110 Glutamate Metabolite Yes L-Glutamate cpd:C00025 0.9 No Yes Met_111 Gly Metabolite Yes Glycine cpd:C00037 0.6 No Yes Met_112 Histidine Metabolite Yes L-Histidine cpd:C00135 0.9 No Yes Met_113 Histamine Metabolite Yes Histamine cpd:C00388 1.0 No Yes Met_114 Ile Metabolite Yes L-Isoleucine cpd:C00407 0.4 No Yes Met_115 Kynurenine Metabolite Yes Kynurenine cpd:C01718 1.0 No Yes Met_116 Leu Metabolite Yes L-Leucine cpd:C00123 0.5 No Yes Met_117 Lys Metabolite Yes L-Lysine cpd:C00047 0.55 No Yes Met_118 Met Metabolite Yes L-Methionine cpd:C00073 0.4 No Yes Met_119 NTyr Metabolite No NA NA NA NA NA Met_120 Orn Metabolite Yes Borneol cpd:C01411 0.6 No Yes Met_121 Phe Metabolite Yes L-Phenylalanine cpd:C00079 0.33 No Yes Met_122 Pro Metabolite Yes L-Proline cpd:C00148 0.5 No Yes Met_123 Putrescine Metabolite Yes Putrescine cpd:C00134 1.0 No Yes Met_124 Ser Metabolite Yes L-Serine cpd:C00065 0.55 No Yes Met_125 Serotonin Metabolite Yes Serotonin cpd:C00780 1.0 No Yes Met_126 Spermidine Metabolite Yes Spermidine cpd:C00315 1.0 No Yes Met_127 Spermine Metabolite Yes Spermine cpd:C00750 1.0 No Yes Met_128 Taurine Metabolite Yes Taurine cpd:C00245 1.0 No Yes Met_129 Thyr Metabolite Yes Thyroid cpd:C08215 0.73 No Yes Met_130 Tyr Metabolite Yes L-Tyrosine cpd:C00082 0.46 No Yes Met_131 Val Metabolite Yes L-Valine cpd:C00183 0.55 No Yes Met_18 C2 Metabolite Yes Ferrocytochrome c2 cpd:C01000 0.2 No No Met_18 C2 Metabolite Yes Gentamicin C2 cpd:C02033 0.27 No No Met_18 C2 Metabolite Yes NeuGc-alpha2->8NeuGc2->3Gal-beta1->4Glc-beta1->1'Cer cpd:C06297 0.07 No No Met_18 C2 Metabolite Yes GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)Gal-beta1->4Glc-beta1->1'Cer cpd:C06134 0.06 No No Met_18 C2 Metabolite Yes C26-CoA cpd:C12146 0.44 No No Met_18 C2 Metabolite Yes NeuGc-alpha2->8NeuGc-alpha2->8NeuGc2->3LacCer cpd:C06300 0.09 No No Met_18 C2 Metabolite Yes Ferricytochrome c2 cpd:C00997 0.2 No No Met_18 C2 Metabolite Yes NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3Gal-beta1->4Glc-beta1->1'Cer cpd:C06299 0.06 No No Met_18 C2 Metabolite Yes Toxin C2 cpd:C20020 0.4 No No Met_18 C2 Metabolite Yes NeuGc-alpha2->8NeuGc-alpha2->8NeuGc2->3Gal-beta1->4Glc-beta1->1'Cer cpd:C06300 0.06 No No Met_18 C2 Metabolite Yes Prostaglandin C2 cpd:C05955 0.22 No No Met_18 C2 Metabolite Yes C20913 cpd:C20913 0.5 No No Met_18 C2 Metabolite Yes C20912 cpd:C20912 0.5 No No Met_18 C2 Metabolite Yes C20911 cpd:C20911 0.5 No No Met_18 C2 Metabolite Yes Megalomicin C2 cpd:C11988 0.25 No No Met_18 C2 Metabolite Yes C20916 cpd:C20916 0.5 No No Met_18 C2 Metabolite Yes C20915 cpd:C20915 0.5 No No Met_18 C2 Metabolite Yes C20914 cpd:C20914 0.5 No No Met_18 C2 Metabolite Yes Gentamicin C2b cpd:C17706 0.25 No No Met_18 C2 Metabolite Yes C20823 cpd:C20823 0.5 No No Met_18 C2 Metabolite Yes C20822 cpd:C20822 0.5 No No Met_18 C2 Metabolite Yes C20821 cpd:C20821 0.5 No No Met_18 C2 Metabolite Yes C25-Allenic-apo-aldehyde cpd:C14044 0.15 No No Met_18 C2 Metabolite Yes Gentamicin C2a cpd:C21270 0.25 No No Met_18 C2 Metabolite Yes NeuAc-alpha2->8NeuAc2->3LacCer cpd:C06133 0.13 No No Met_18 C2 Metabolite Yes GalNAc-beta1->4(NeuGc-alpha2->8NeuGc2->3)Gal-beta1->4Glc-beta1->1'Cer cpd:C06302 0.06 No No Met_18 C2 Metabolite Yes Cinncassiol C2 cpd:C17642 0.25 No No Met_18 C2 Metabolite Yes GalNAc-beta1->4(NeuGc-alpha2->8NeuGc2->3)LacCer cpd:C06302 0.08 No No Met_18 C2 Metabolite Yes NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3LacCer cpd:C06299 0.09 No No Met_18 C2 Metabolite Yes NeuGc-alpha2->8NeuGc2->3LacCer cpd:C06297 0.13 No No Met_18 C2 Metabolite Yes GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)LacCer cpd:C06134 0.08 No No Met_18 C2 Metabolite Yes Cytochrome c2+ cpd:C00126 0.25 No No Met_18 C2 Metabolite Yes C20817 cpd:C20817 0.5 No No Met_18 C2 Metabolite Yes C25-Epoxy-apo-aldehyde cpd:C14045 0.17 No No Met_18 C2 Metabolite Yes C27-Mycolipanoyl-[acp] cpd:C21394 0.17 No No Met_18 C2 Metabolite Yes C20818 cpd:C20818 0.5 No No Met_18 C2 Metabolite Yes C20819 cpd:C20819 0.5 No No Met_27 PC aa C28:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_27 PC aa C28:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_27 PC aa C28:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_27 PC aa C28:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_27 PC aa C28:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_27 PC aa C28:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_28 PC aa C30:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_28 PC aa C30:0 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_28 PC aa C30:0 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_28 PC aa C30:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_28 PC aa C30:0 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_28 PC aa C30:0 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_29 PC aa C32:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_29 PC aa C32:0 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_29 PC aa C32:0 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_29 PC aa C32:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_29 PC aa C32:0 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_29 PC aa C32:0 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_30 PC aa C32:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_30 PC aa C32:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_30 PC aa C32:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_30 PC aa C32:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_30 PC aa C32:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_30 PC aa C32:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_31 PC aa C32:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_31 PC aa C32:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_31 PC aa C32:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_31 PC aa C32:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_31 PC aa C32:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_31 PC aa C32:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_32 PC aa C32:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_32 PC aa C32:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_32 PC aa C32:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_32 PC aa C32:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_32 PC aa C32:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_32 PC aa C32:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_33 PC aa C34:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_33 PC aa C34:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_33 PC aa C34:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_33 PC aa C34:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_33 PC aa C34:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_33 PC aa C34:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_34 PC aa C34:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_34 PC aa C34:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_34 PC aa C34:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_34 PC aa C34:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_34 PC aa C34:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_34 PC aa C34:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_35 PC aa C34:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_35 PC aa C34:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_35 PC aa C34:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_35 PC aa C34:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_35 PC aa C34:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_35 PC aa C34:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_36 PC aa C34:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_36 PC aa C34:4 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_36 PC aa C34:4 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_36 PC aa C34:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_36 PC aa C34:4 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_36 PC aa C34:4 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_37 PC aa C36:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_37 PC aa C36:0 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_37 PC aa C36:0 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_37 PC aa C36:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_37 PC aa C36:0 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_37 PC aa C36:0 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_38 PC aa C36:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_38 PC aa C36:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_38 PC aa C36:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_38 PC aa C36:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_38 PC aa C36:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_38 PC aa C36:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_39 PC aa C36:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_39 PC aa C36:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_39 PC aa C36:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_39 PC aa C36:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_39 PC aa C36:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_39 PC aa C36:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_40 PC aa C36:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_40 PC aa C36:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_40 PC aa C36:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_40 PC aa C36:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_40 PC aa C36:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_40 PC aa C36:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_41 PC aa C36:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_41 PC aa C36:4 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_41 PC aa C36:4 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_41 PC aa C36:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_41 PC aa C36:4 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_41 PC aa C36:4 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_42 PC aa C36:5 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_42 PC aa C36:5 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_42 PC aa C36:5 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_42 PC aa C36:5 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_42 PC aa C36:5 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_42 PC aa C36:5 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_43 PC aa C36:6 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_43 PC aa C36:6 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_43 PC aa C36:6 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_43 PC aa C36:6 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_43 PC aa C36:6 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_43 PC aa C36:6 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_44 PC aa C38:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_44 PC aa C38:0 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_44 PC aa C38:0 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_44 PC aa C38:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_44 PC aa C38:0 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_44 PC aa C38:0 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_45 PC aa C38:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_45 PC aa C38:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_45 PC aa C38:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_45 PC aa C38:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_45 PC aa C38:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_45 PC aa C38:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_46 PC aa C38:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_46 PC aa C38:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_46 PC aa C38:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_46 PC aa C38:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_46 PC aa C38:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_46 PC aa C38:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_47 PC aa C38:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_47 PC aa C38:4 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_47 PC aa C38:4 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_47 PC aa C38:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_47 PC aa C38:4 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_47 PC aa C38:4 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_48 PC aa C38:5 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_48 PC aa C38:5 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_48 PC aa C38:5 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_48 PC aa C38:5 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_48 PC aa C38:5 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_48 PC aa C38:5 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_49 PC aa C38:6 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_49 PC aa C38:6 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_49 PC aa C38:6 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_49 PC aa C38:6 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_49 PC aa C38:6 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_49 PC aa C38:6 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_50 PC aa C40:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_50 PC aa C40:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_50 PC aa C40:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_50 PC aa C40:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_50 PC aa C40:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_50 PC aa C40:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_51 PC aa C40:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_51 PC aa C40:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_51 PC aa C40:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_51 PC aa C40:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_51 PC aa C40:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_51 PC aa C40:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_52 PC aa C40:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_52 PC aa C40:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_52 PC aa C40:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_52 PC aa C40:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_52 PC aa C40:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_52 PC aa C40:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_53 PC aa C40:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_53 PC aa C40:4 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_53 PC aa C40:4 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_53 PC aa C40:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_53 PC aa C40:4 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_53 PC aa C40:4 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_54 PC aa C40:5 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_54 PC aa C40:5 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_54 PC aa C40:5 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_54 PC aa C40:5 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_54 PC aa C40:5 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_54 PC aa C40:5 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_55 PC aa C40:6 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_55 PC aa C40:6 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_55 PC aa C40:6 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_55 PC aa C40:6 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_55 PC aa C40:6 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_55 PC aa C40:6 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_56 PC aa C42:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_56 PC aa C42:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_56 PC aa C42:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_56 PC aa C42:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_56 PC aa C42:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_56 PC aa C42:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_57 PC aa C42:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_57 PC aa C42:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_57 PC aa C42:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_57 PC aa C42:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_57 PC aa C42:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_57 PC aa C42:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_58 PC aa C42:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_58 PC aa C42:4 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_58 PC aa C42:4 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_58 PC aa C42:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_58 PC aa C42:4 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_58 PC aa C42:4 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_59 PC aa C42:5 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_59 PC aa C42:5 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_59 PC aa C42:5 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_59 PC aa C42:5 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_59 PC aa C42:5 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_59 PC aa C42:5 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_60 PC aa C42:6 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.11 No No Met_60 PC aa C42:6 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.11 No No Met_60 PC aa C42:6 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.1 No No Met_60 PC aa C42:6 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.11 No No Met_60 PC aa C42:6 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.1 No No Met_60 PC aa C42:6 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.11 No No Met_61 PC ae C30:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_61 PC ae C30:0 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_61 PC ae C30:0 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_61 PC ae C30:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_61 PC ae C30:0 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_61 PC ae C30:0 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_62 PC ae C30:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_62 PC ae C30:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_62 PC ae C30:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_62 PC ae C30:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_62 PC ae C30:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_62 PC ae C30:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_63 PC ae C30:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_63 PC ae C30:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_63 PC ae C30:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_63 PC ae C30:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_63 PC ae C30:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_63 PC ae C30:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_64 PC ae C32:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_64 PC ae C32:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_64 PC ae C32:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_64 PC ae C32:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_64 PC ae C32:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_64 PC ae C32:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_65 PC ae C32:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_65 PC ae C32:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_65 PC ae C32:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_65 PC ae C32:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_65 PC ae C32:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_65 PC ae C32:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_66 PC ae C34:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_66 PC ae C34:0 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_66 PC ae C34:0 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_66 PC ae C34:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_66 PC ae C34:0 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_66 PC ae C34:0 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_67 PC ae C34:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_67 PC ae C34:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_67 PC ae C34:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_67 PC ae C34:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_67 PC ae C34:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_67 PC ae C34:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_68 PC ae C34:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_68 PC ae C34:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_68 PC ae C34:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_68 PC ae C34:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_68 PC ae C34:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_68 PC ae C34:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_69 PC ae C34:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_69 PC ae C34:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_69 PC ae C34:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_69 PC ae C34:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_69 PC ae C34:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_69 PC ae C34:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_70 PC ae C36:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_70 PC ae C36:0 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_70 PC ae C36:0 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_70 PC ae C36:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_70 PC ae C36:0 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_70 PC ae C36:0 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_71 PC ae C36:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_71 PC ae C36:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_71 PC ae C36:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_71 PC ae C36:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_71 PC ae C36:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_71 PC ae C36:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_72 PC ae C36:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_72 PC ae C36:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_72 PC ae C36:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_72 PC ae C36:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_72 PC ae C36:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_72 PC ae C36:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_73 PC ae C36:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_73 PC ae C36:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_73 PC ae C36:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_73 PC ae C36:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_73 PC ae C36:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_73 PC ae C36:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_74 PC ae C36:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_74 PC ae C36:4 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_74 PC ae C36:4 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_74 PC ae C36:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_74 PC ae C36:4 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_74 PC ae C36:4 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_75 PC ae C36:5 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_75 PC ae C36:5 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_75 PC ae C36:5 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_75 PC ae C36:5 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_75 PC ae C36:5 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_75 PC ae C36:5 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_76 PC ae C38:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_76 PC ae C38:0 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_76 PC ae C38:0 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_76 PC ae C38:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_76 PC ae C38:0 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_76 PC ae C38:0 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_77 PC ae C38:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_77 PC ae C38:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_77 PC ae C38:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_77 PC ae C38:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_77 PC ae C38:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_77 PC ae C38:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_78 PC ae C38:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_78 PC ae C38:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_78 PC ae C38:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_78 PC ae C38:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_78 PC ae C38:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_78 PC ae C38:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_79 PC ae C38:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_79 PC ae C38:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_79 PC ae C38:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_79 PC ae C38:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_79 PC ae C38:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_79 PC ae C38:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_80 PC ae C38:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_80 PC ae C38:4 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_80 PC ae C38:4 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_80 PC ae C38:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_80 PC ae C38:4 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_80 PC ae C38:4 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_81 PC ae C38:5 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_81 PC ae C38:5 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_81 PC ae C38:5 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_81 PC ae C38:5 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_81 PC ae C38:5 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_81 PC ae C38:5 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_82 PC ae C38:6 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_82 PC ae C38:6 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_82 PC ae C38:6 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_82 PC ae C38:6 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_82 PC ae C38:6 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_82 PC ae C38:6 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_83 PC ae C40:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_83 PC ae C40:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_83 PC ae C40:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_83 PC ae C40:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_83 PC ae C40:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_83 PC ae C40:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_84 PC ae C40:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_84 PC ae C40:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_84 PC ae C40:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_84 PC ae C40:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_84 PC ae C40:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_84 PC ae C40:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_85 PC ae C40:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_85 PC ae C40:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_85 PC ae C40:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_85 PC ae C40:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_85 PC ae C40:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_85 PC ae C40:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_86 PC ae C40:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_86 PC ae C40:4 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_86 PC ae C40:4 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_86 PC ae C40:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_86 PC ae C40:4 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_86 PC ae C40:4 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_87 PC ae C40:5 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_87 PC ae C40:5 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_87 PC ae C40:5 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_87 PC ae C40:5 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_87 PC ae C40:5 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_87 PC ae C40:5 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_88 PC ae C40:6 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_88 PC ae C40:6 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_88 PC ae C40:6 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_88 PC ae C40:6 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_88 PC ae C40:6 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_88 PC ae C40:6 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_89 PC ae C42:0 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_89 PC ae C42:0 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_89 PC ae C42:0 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_89 PC ae C42:0 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_89 PC ae C42:0 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_89 PC ae C42:0 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_90 PC ae C42:1 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_90 PC ae C42:1 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_90 PC ae C42:1 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_90 PC ae C42:1 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_90 PC ae C42:1 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_90 PC ae C42:1 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_91 PC ae C42:2 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_91 PC ae C42:2 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_91 PC ae C42:2 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_91 PC ae C42:2 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_91 PC ae C42:2 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_91 PC ae C42:2 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_92 PC ae C42:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_92 PC ae C42:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_92 PC ae C42:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_92 PC ae C42:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_92 PC ae C42:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_92 PC ae C42:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_93 PC ae C42:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_93 PC ae C42:4 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_93 PC ae C42:4 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_93 PC ae C42:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_93 PC ae C42:4 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_93 PC ae C42:4 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_94 PC ae C44:3 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_94 PC ae C44:3 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_94 PC ae C44:3 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_94 PC ae C44:3 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_94 PC ae C44:3 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_94 PC ae C44:3 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_95 PC ae C44:4 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_95 PC ae C44:4 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_95 PC ae C44:4 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_95 PC ae C44:4 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_95 PC ae C44:4 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_95 PC ae C44:4 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_96 PC ae C44:5 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_96 PC ae C44:5 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_96 PC ae C44:5 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_96 PC ae C44:5 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_96 PC ae C44:5 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_96 PC ae C44:5 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_97 PC ae C44:6 Metabolite Yes 2-Lysophosphatidylcholine cpd:C04230 0.17 No No Met_97 PC ae C44:6 Metabolite Yes 3-sn-Phosphatidylcholine cpd:C00157 0.17 No No Met_97 PC ae C44:6 Metabolite Yes Palmitoylphosphatidylcholine cpd:C03889 0.15 No No Met_97 PC ae C44:6 Metabolite Yes 1-Lysophosphatidylcholine cpd:C04233 0.17 No No Met_97 PC ae C44:6 Metabolite Yes Linoleoylphosphatidylcholine cpd:C03873 0.15 No No Met_97 PC ae C44:6 Metabolite Yes Oleoylphosphatidylcholine cpd:C03631 0.17 No No Met_99 Ala Metabolite Yes N-Methyl-L-alanine cpd:C02721 0.29 No No Met_99 Ala Metabolite Yes [Sulfatase]-3-oxo-L-alanine cpd:C21741 0.2 No No Met_99 Ala Metabolite Yes 3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanine cpd:C20966 0.11 No No Met_99 Ala Metabolite Yes 3-Cyano-L-alanine cpd:C02512 0.3 No No Met_99 Ala Metabolite Yes UDP-N-acetyl-alpha-D-muramoyl-L-alanine cpd:C01212 0.14 No No Met_99 Ala Metabolite Yes 3-(Pyrazol-1-yl)-L-alanine cpd:C01162 0.21 No No Met_99 Ala Metabolite Yes beta-(Isoxazolin-5-on-2-yl)-L-alanine cpd:C20892 0.15 No No Met_99 Ala Metabolite Yes 3-[N6-(4-Hydroxyisopentenyl)adeninyl]-L-alanine cpd:C01513 0.12 No No Met_99 Ala Metabolite Yes N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride cpd:C15311 0.12 No No Met_99 Ala Metabolite Yes 3-(5-Oxoisoxazolin-4-yl)-L-alanine cpd:C20893 0.16 No No Met_99 Ala Metabolite Yes 3-Chloro-L-alanine cpd:C02635 0.29 No No Met_99 Ala Metabolite Yes 3-(Uracil-1-yl)-L-alanine cpd:C03584 0.21 No No Met_99 Ala Metabolite Yes 3-Amino-L-alanine cpd:C03401 0.3 No No Met_99 Ala Metabolite Yes Ribosomal-protein N-terminal-L-alanine cpd:C03803 0.15 No No Met_99 Ala Metabolite Yes beta-(Isoxazolin-5-on-4-yl)-L-alanine cpd:C20893 0.15 No No Met_99 Ala Metabolite Yes gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine cpd:C06457 0.08 No No Met_99 Ala Metabolite Yes N-Acetyl-D-muramoyl-L-alanine cpd:C02999 0.19 No No Met_99 Ala Metabolite Yes 3-(Carboxycarbonylamino)-L-alanine cpd:C04209 0.16 No No Met_99 Ala Metabolite Yes 3-Sulfino-L-alanine cpd:C00606 0.27 No No Met_99 Ala Metabolite Yes 3-Methylamino-L-alanine cpd:C08291 0.23 No No Met_99 Ala Metabolite Yes 3-(3,4-Dihydroxypyridin-1-yl)-L-alanine cpd:C04446 0.14 No No Met_99 Ala Metabolite Yes 3-Sulphino-L-alanine cpd:C00606 0.26 No No Met_99 Ala Metabolite Yes 3-({[(2R,3R)-3-Carbamoyloxiran-2-yl]carbonyl}amino)-L-alanine cpd:C20967 0.09 No No Met_99 Ala Metabolite Yes UDP-N-acetylmuramoyl-L-alanine cpd:C01212 0.18 No No Met_99 Ala Metabolite Yes 3-(Phosphoacetylamido)-L-alanine cpd:C04111 0.17 No No Met_99 Ala Metabolite Yes Ribosomal-protein N-acetyl-L-alanine cpd:C04341 0.15 No No Met_99 Ala Metabolite Yes Ribosomal-protein L-alanine cpd:C03803 0.2 No No Met_99 Ala Metabolite Yes 3-(5-Oxoisoxazolin-2-yl)-L-alanine cpd:C20892 0.16 No No Met_99 Ala Metabolite Yes 3-Anthraniloyl-L-alanine cpd:C00328 0.22 No No Met_101 Arg Metabolite Yes N-Acyl-L-arginine cpd:C02562 0.3 No No Met_101 Arg Metabolite Yes Protein Nomega-(1-hydroxy-2-oxopropyl)-L-arginine cpd:C21466 0.12 No No Met_101 Arg Metabolite Yes Histone N(omega)-methyl-L-arginine cpd:C05320 0.16 No No Met_101 Arg Metabolite Yes L-Tyrosyl-L-arginine cpd:C02993 0.26 No No Met_101 Arg Metabolite Yes N(omega)-Nitro-L-arginine cpd:C03417 0.21 No No Met_101 Arg Metabolite Yes 5-hydroxy-L-arginine cpd:C20330 0.26 No No Met_101 Arg Metabolite Yes L-Arginine ester cpd:C02424 0.32 No No Met_101 Arg Metabolite Yes NG,NG-Dimethyl-L-arginine cpd:C03626 0.21 No No Met_101 Arg Metabolite Yes Protein N5-methyl-L-arginine cpd:C21190 0.19 No No Met_101 Arg Metabolite Yes Nomega-(ADP-D-ribosyl)-protein-L-arginine cpd:C16011 0.14 No No Met_101 Arg Metabolite Yes N2-(D-1-Carboxyethyl)-L-arginine cpd:C04137 0.17 No No Met_101 Arg Metabolite Yes L-Arginine, N2-[(1R)-1-carboxyethyl]- cpd:C04137 0.15 No No Met_101 Arg Metabolite Yes Peptide L-arginine cpd:C00613 0.29 No No Met_101 Arg Metabolite Yes (3S)-3-Hydroxy-L-arginine cpd:C18473 0.21 No No Met_101 Arg Metabolite Yes [Protein]-Nomega-(1-hydroxy-2-oxopropyl)-L-arginine cpd:C21466 0.11 No No Met_101 Arg Metabolite Yes N2-(1-Carboxyethyl)-L-arginine cpd:C04137 0.18 No No Met_101 Arg Metabolite Yes L-Arginine, N2-(1-carboxyethyl)-, (R)- cpd:C04137 0.15 No No Met_101 Arg Metabolite Yes Protein-omega-N-(ADP-D-ribosyl)-L-arginine cpd:C16011 0.13 No No Met_101 Arg Metabolite Yes Protein N(omega)-phospho-L-arginine cpd:C21101 0.16 No No Met_101 Arg Metabolite Yes N(omega)-(ADP-D-ribosyl)-L-arginine cpd:C01201 0.16 No No Met_101 Arg Metabolite Yes alpha-N-Substituted L-arginine cpd:C04026 0.18 No No Met_101 Arg Metabolite Yes gamma-Hydroxy-L-arginine cpd:C08284 0.22 No No Met_101 Arg Metabolite Yes Histone L-arginine cpd:C05206 0.29 No No Met_101 Arg Metabolite Yes [Myeline basic protein] L-arginine cpd:C05207 0.16 No No Met_101 Arg Metabolite Yes [Myeline basic protein] N(omega)-methyl-L-arginine cpd:C05321 0.11 No No Met_101 Arg Metabolite Yes N(omega)-Nitro-L-arginine methyl ester cpd:C04337 0.15 No No Met_101 Arg Metabolite Yes N2-(2-Carboxyethyl)-L-arginine cpd:C06655 0.18 No No Met_101 Arg Metabolite Yes Protein N(omega)-methyl-L-arginine cpd:C04143 0.16 No No Met_101 Arg Metabolite Yes [Dinitrogen reductase]-Nomega-alpha-(ADP-D-ribosyl)-L-arginine cpd:C01253 0.09 No No Met_101 Arg Metabolite Yes [Protein]-N(omega)-phospho-L-arginine cpd:C21101 0.15 No No Met_101 Arg Metabolite Yes Benzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide cpd:C02334 0.1 No No Met_101 Arg Metabolite Yes L-Arginine phosphate cpd:C05945 0.26 No No Met_101 Arg Metabolite Yes Nomega,Nomega-Dimethyl-L-arginine cpd:C03626 0.17 No No Met_101 Arg Metabolite Yes L-4-Hydroxyphenylglycyl-L-arginine cpd:C20910 0.16 No No Met_101 Arg Metabolite Yes N(G)-Nitro-L-arginine cpd:C03417 0.25 No No Met_101 Arg Metabolite Yes Protein N(omega),N(omega)'-dimethyl-L-arginine cpd:C21189 0.12 No No Met_101 Arg Metabolite Yes N2-Succinyl-L-arginine cpd:C03296 0.24 No No Met_101 Arg Metabolite Yes N-Phospho-L-arginine cpd:C05945 0.26 No No Met_101 Arg Metabolite Yes N(omega)-Methyl-L-arginine cpd:C03884 0.21 No No Met_101 Arg Metabolite Yes Nomega-(ADP-D-ribosyl)-L-arginine cpd:C01201 0.17 No No Met_101 Arg Metabolite Yes Protein-Nomega-(ADP-D-ribosyl)-L-arginine cpd:C16011 0.14 No No Met_101 Arg Metabolite Yes N(G)-Nitro-L-arginine methyl ester cpd:C04337 0.16 No No Met_101 Arg Metabolite Yes beta-Alanyl-L-arginine cpd:C05340 0.24 No No Met_101 Arg Metabolite Yes L-Arginine-NG-phosphoric acid cpd:C05945 0.19 No No Met_101 Arg Metabolite Yes Protein-L-arginine cpd:C00613 0.29 No No Met_101 Arg Metabolite Yes Protein N(omega),N(omega)-dimethyl-L-arginine cpd:C21188 0.13 No No Met_101 Arg Metabolite Yes N(omega)-Phospho-L-arginine cpd:C05945 0.2 No No Met_101 Arg Metabolite Yes 8-L-Arginine vasopressin cpd:C13662 0.22 No No Met_101 Arg Metabolite Yes N(G)-Monomethyl-L-arginine cpd:C03884 0.21 No No Met_101 Arg Metabolite Yes N(omega)-Hydroxy-L-arginine cpd:C05933 0.2 No No Met_101 Arg Metabolite Yes N2-(D-1,3-Dicarboxypropyl)-L-arginine cpd:C01682 0.15 No No Met_101 Arg Metabolite Yes [Dinitrogen reductase]-L-arginine cpd:C03315 0.17 No No Met_102 Asn Metabolite Yes Protein L-asparagine cpd:C03021 0.26 No No Met_102 Asn Metabolite Yes N-Glycosyl-L-asparagine cpd:C03411 0.23 No No Met_102 Asn Metabolite Yes Glycoprotein with the oligosaccharide chain attached by N-glycosyl linkage to protein L-asparagine cpd:C11572 0.06 No No Met_102 Asn Metabolite Yes N-alpha-Boc-L-asparagine cpd:C01410 0.22 No No Met_102 Asn Metabolite Yes N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine cpd:C04540 0.12 No No Met_103 Asp Metabolite Yes N-Amidino-L-aspartate cpd:C03139 0.25 No No Met_103 Asp Metabolite Yes Calcium L-aspartate cpd:C13058 0.27 No No Met_103 Asp Metabolite Yes L-Aspartate 4-semialdehyde cpd:C00441 0.21 No No Met_103 Asp Metabolite Yes N-Acyl-L-aspartate cpd:C02715 0.29 No No Met_103 Asp Metabolite Yes 3-Methylsulfanyl-L-aspartate-[ribosomal protein S12] cpd:C20758 0.11 No No Met_103 Asp Metabolite Yes threo-3-Hydroxy-L-aspartate cpd:C11511 0.2 No No Met_103 Asp Metabolite Yes erythro-3-Hydroxy-L-aspartate cpd:C03961 0.19 No No Met_103 Asp Metabolite Yes N-Formimino-L-aspartate cpd:C03409 0.23 No No Met_103 Asp Metabolite Yes N-Carbamoyl-L-aspartate cpd:C00438 0.23 No No Met_103 Asp Metabolite Yes Peptide L-aspartate cpd:C02871 0.27 No No Met_103 Asp Metabolite Yes N-Formyl-L-aspartate cpd:C01044 0.26 No No Met_103 Asp Metabolite Yes N-Formimidoyl-L-aspartate cpd:C03409 0.21 No No Met_103 Asp Metabolite Yes N-Acetyl-L-aspartate cpd:C01042 0.26 No No Met_103 Asp Metabolite Yes [Ribosomal protein S12]-L-aspartate cpd:C20756 0.16 No No Met_103 Asp Metabolite Yes Peptide 3-hydroxy-L-aspartate cpd:C03957 0.19 No No Met_103 Asp Metabolite Yes 4-Phospho-L-aspartate cpd:C03082 0.25 No No Met_104 Carnosine Metabolite Yes Homocarnosine cpd:C00884 0.82 No No Met_104 Carnosine Metabolite Yes L-Homocarnosine cpd:C00884 0.75 No No Met_105 Cit Metabolite Yes Eriocitrin cpd:C09732 0.46 No No Met_105 Cit Metabolite Yes (3S)-Citryl-CoA cpd:C00566 0.33 No No Met_105 Cit Metabolite Yes Ancitabin hydrochloride cpd:C13112 0.23 No No Met_105 Cit Metabolite Yes L-Citramalate cpd:C02614 0.38 No No Met_105 Cit Metabolite Yes D-Glucitol 6-phosphate cpd:C01096 0.24 No No Met_105 Cit Metabolite Yes Citraconate de dimethyle cpd:C05126 0.22 No No Met_105 Cit Metabolite Yes (-)-threo-Iso(homo)3-citrate cpd:C16600 0.19 No No Met_105 Cit Metabolite Yes (R)-(Homo)2-citrate cpd:C16583 0.27 No No Met_105 Cit Metabolite Yes Calcitetrol cpd:C18231 0.43 No No Met_105 Cit Metabolite Yes Rhamnocitrin cpd:C17059 0.4 No No Met_105 Cit Metabolite Yes (3S)-3-Hydroxycyclocitral cpd:C19731 0.21 No No Met_105 Cit Metabolite Yes Clomiphene citrate cpd:C08161 0.29 No No Met_105 Cit Metabolite Yes 1,5-Anhydro-D-glucitol cpd:C07326 0.24 No No Met_105 Cit Metabolite Yes Myricitrin cpd:C10108 0.46 No No Met_105 Cit Metabolite Yes Laricitrin cpd:C12633 0.46 No No Met_105 Cit Metabolite Yes D-threo-Isocitric acid cpd:C00451 0.24 No No Met_105 Cit Metabolite Yes Citrinin cpd:C16765 0.55 No No Met_105 Cit Metabolite Yes Lecithin cpd:C00157 0.55 No No Met_105 Cit Metabolite Yes (+)-Quercitol cpd:C08258 0.38 No No Met_105 Cit Metabolite Yes Calcitriol cpd:C01673 0.46 No No Met_105 Cit Metabolite Yes Methylisocitric acid cpd:C04593 0.26 No No Met_105 Cit Metabolite Yes (R)-(Homo)3-citrate cpd:C16598 0.27 No No Met_105 Cit Metabolite Yes Malonylglycitin cpd:C16197 0.33 No No Met_105 Cit Metabolite Yes Glycitol cpd:C00717 0.55 No No Met_105 Cit Metabolite Yes (-)-Citronellol cpd:C11386 0.33 No No Met_105 Cit Metabolite Yes Citalopram N-oxide cpd:C16607 0.29 No No Met_105 Cit Metabolite Yes Piperazine citrate cpd:C13660 0.29 No No Met_105 Cit Metabolite Yes Mosapride citrate hydrate cpd:C13494 0.21 No No Met_105 Cit Metabolite Yes Citraconic acid dimethyl ester cpd:C05126 0.18 No No Met_105 Cit Metabolite Yes 6-O-alpha-D-Galactosyl-D-glucitol cpd:C05399 0.17 No No Met_105 Cit Metabolite Yes Didemethylcitalopram cpd:C16609 0.26 No No Met_105 Cit Metabolite Yes Citraconic acid, dimethyl ester cpd:C05126 0.18 No No Met_105 Cit Metabolite Yes Quercitrin cpd:C01750 0.46 No No Met_105 Cit Metabolite Yes (S)-Citramalyl-CoA cpd:C01011 0.29 No No Met_105 Cit Metabolite Yes Lycocitin 3 cpd:C20108 0.43 No No Met_105 Cit Metabolite Yes Lycocitin 2 cpd:C20107 0.43 No No Met_105 Cit Metabolite Yes Lycocitin 1 cpd:C20106 0.43 No No Met_105 Cit Metabolite Yes N-Succinyl-L-citrulline cpd:C18048 0.23 No No Met_105 Cit Metabolite Yes 2-Lysolecithin cpd:C04230 0.35 No No Met_105 Cit Metabolite Yes beta-Citryl-L-glutamate cpd:C20775 0.23 No No Met_105 Cit Metabolite Yes L-Homocitrulline cpd:C02427 0.32 No No Met_105 Cit Metabolite Yes Zalcitabine cpd:C07207 0.43 No No Met_105 Cit Metabolite Yes (-)-threo-Iso(homo)2-citrate cpd:C16597 0.19 No No Met_105 Cit Metabolite Yes Citroxanthin cpd:C08605 0.4 No No Met_105 Cit Metabolite Yes 1-Lysolecithin cpd:C04233 0.35 No No Met_105 Cit Metabolite Yes Calcitonin gene-related peptide 1 cpd:C16125 0.17 No No Met_105 Cit Metabolite Yes Torcitabine cpd:C21554 0.43 No No Met_105 Cit Metabolite Yes Calcitonin gene-related peptide 2 cpd:C16126 0.17 No No Met_105 Cit Metabolite Yes Neoeriocitrin cpd:C09805 0.38 No No Met_105 Cit Metabolite Yes Citramalyl-CoA cpd:C00904 0.35 No No Met_105 Cit Metabolite Yes Citrus Red No.2 cpd:C19214 0.33 No No Met_105 Cit Metabolite Yes Dulcitol cpd:C01697 0.55 No No Met_105 Cit Metabolite Yes Citrulline cpd:C00327 0.46 No No Met_105 Cit Metabolite Yes beta-Citronellol cpd:C09849 0.32 No No Met_105 Cit Metabolite Yes cis-Citral cpd:C09847 0.46 No No Met_105 Cit Metabolite Yes Capecitabine cpd:C12650 0.4 No No Met_105 Cit Metabolite Yes Azacitidine cpd:C11262 0.43 No No Met_105 Cit Metabolite Yes D-Citramalate cpd:C02612 0.38 No No Met_105 Cit Metabolite Yes Homoisocitrate cpd:C05662 0.35 No No Met_105 Cit Metabolite Yes Citalopram cpd:C07572 0.46 No No Met_105 Cit Metabolite Yes Emtricitabine cpd:C12599 0.38 No No Met_105 Cit Metabolite Yes Iron(III)dicitrate cpd:C06229 0.29 No No Met_105 Cit Metabolite Yes (R)-Citramalyl-CoA cpd:C20746 0.29 No No Met_105 Cit Metabolite Yes Sodium citrate cpd:C13249 0.35 No No Met_105 Cit Metabolite Yes Acetyl-[citrate (pro-3S)-lyase] cpd:C04334 0.18 No No Met_105 Cit Metabolite Yes (S)-Citramalate cpd:C02614 0.33 No No Met_105 Cit Metabolite Yes beta-Citrylglutamate cpd:C20775 0.26 No No Met_105 Cit Metabolite Yes Paricalcitol cpd:C08127 0.4 No No Met_105 Cit Metabolite Yes N-Acyl-L-citrulline cpd:C02851 0.27 No No Met_105 Cit Metabolite Yes Citronellate cpd:C16462 0.4 No No Met_105 Cit Metabolite Yes Phycite cpd:C00503 0.6 No No Met_105 Cit Metabolite Yes Methylisocitrate cpd:C04593 0.32 No No Met_105 Cit Metabolite Yes 2-Methylcitrate cpd:C02225 0.33 No No Met_105 Cit Metabolite Yes Homocitrate cpd:C01251 0.43 No No Met_105 Cit Metabolite Yes Bacitracin A cpd:C15482 0.4 No No Met_105 Cit Metabolite Yes Fe(III)dicitrate cpd:C06229 0.32 No No Met_105 Cit Metabolite Yes threo-(Homo)3-isocitrate cpd:C16600 0.22 No No Met_105 Cit Metabolite Yes Citicoline cpd:C00307 0.46 No No Met_105 Cit Metabolite Yes Trisodium citrate dihydrate cpd:C13249 0.2 No No Met_105 Cit Metabolite Yes Citraconate cpd:C02226 0.43 No No Met_105 Cit Metabolite Yes Dimethyl citraconate cpd:C05126 0.26 No No Met_105 Cit Metabolite Yes Calcitonin cpd:C06865 0.46 No No Met_105 Cit Metabolite Yes Citrate cpd:C00158 0.6 No No Met_105 Cit Metabolite Yes trans-Citral cpd:C01499 0.4 No No Met_105 Cit Metabolite Yes N2-Citryl-N6-acetyl-N6-hydroxylysine cpd:C20333 0.15 No No Met_105 Cit Metabolite Yes Sclerocitrin cpd:C19978 0.4 No No Met_105 Cit Metabolite Yes Phycitol cpd:C00503 0.55 No No Met_105 Cit Metabolite Yes Clomifene citrate cpd:C08161 0.3 No No Met_105 Cit Metabolite Yes Demethylcitalopram cpd:C16608 0.29 No No Met_105 Cit Metabolite Yes L-Citramalyl-CoA cpd:C01011 0.32 No No Met_105 Cit Metabolite Yes (R)-Citramalate cpd:C02612 0.33 No No Met_105 Cit Metabolite Yes Citric acid monohydrate cpd:C12649 0.23 No No Met_105 Cit Metabolite Yes (S)-Citramalic acid cpd:C02614 0.27 No No Met_105 Cit Metabolite Yes (S)-(-)-Citronellal cpd:C11384 0.27 No No Met_105 Cit Metabolite Yes [Isocitrate dehydrogenase (NADP+)] phosphate cpd:C04564 0.13 No No Met_105 Cit Metabolite Yes Citronellyl formate cpd:C12295 0.27 No No Met_105 Cit Metabolite Yes Gemcitabine cpd:C07650 0.43 No No Met_105 Cit Metabolite Yes Citronellyl acetate cpd:C12298 0.27 No No Met_105 Cit Metabolite Yes Isocitrate cpd:C00311 0.46 No No Met_105 Cit Metabolite Yes Glycitein 7-O-glucoside cpd:C16195 0.23 No No Met_105 Cit Metabolite Yes (R)-(+)-Citronellal cpd:C09848 0.27 No No Met_105 Cit Metabolite Yes Holo-[citrate (pro-3S)-lyase] cpd:C04298 0.19 No No Met_105 Cit Metabolite Yes d-Quercitol cpd:C08258 0.43 No No Met_105 Cit Metabolite Yes Citalopram aldehyde cpd:C16612 0.27 No No Met_105 Cit Metabolite Yes Isocitric acid cpd:C00311 0.35 No No Met_105 Cit Metabolite Yes 3beta-Hydroxy-beta-cyclocitral cpd:C19731 0.18 No No Met_105 Cit Metabolite Yes Citalopram propionic acid cpd:C16610 0.21 No No Met_105 Cit Metabolite Yes N-Acetyl-L-citrulline cpd:C15532 0.25 No No Met_105 Cit Metabolite Yes beta-Cyclocitral cpd:C20425 0.32 No No Met_105 Cit Metabolite Yes Ferrulecit cpd:C13511 0.46 No No Met_105 Cit Metabolite Yes L-Citramalic acid cpd:C02614 0.3 No No Met_105 Cit Metabolite Yes (3S)-Citramalyl-CoA cpd:C01011 0.27 No No Met_105 Cit Metabolite Yes Citramalate cpd:C00815 0.43 No No Met_105 Cit Metabolite Yes D-Citramalyl-CoA cpd:C20746 0.32 No No Met_105 Cit Metabolite Yes L-Citrulline cpd:C00327 0.4 No No Met_105 Cit Metabolite Yes threo-(Homo)2-isocitrate cpd:C16597 0.22 No No Met_105 Cit Metabolite Yes Citalopram alcohol cpd:C16611 0.29 No No Met_105 Cit Metabolite Yes Calcitonin receptor-stimulating peptide 1 cpd:C16129 0.14 No No Met_105 Cit Metabolite Yes (E)-Caffeoylisocitrate cpd:C02927 0.24 No No Met_105 Cit Metabolite Yes Calcitonin-related polypeptide alpha cpd:C16125 0.15 No No Met_105 Cit Metabolite Yes Citramalic acid cpd:C00815 0.33 No No Met_105 Cit Metabolite Yes 1,5-Anhydroglucitol cpd:C07326 0.27 No No Met_105 Cit Metabolite Yes 2-Amino-1,5-anhydro-2-deoxyglucitol cpd:C21416 0.16 No No Met_105 Cit Metabolite Yes L-Glucitol cpd:C01722 0.46 No No Met_105 Cit Metabolite Yes Glycitein cpd:C14536 0.5 No No Met_105 Cit Metabolite Yes Citreoviridin cpd:C16766 0.38 No No Met_105 Cit Metabolite Yes 3-Lysolecithin cpd:C04233 0.35 No No Met_105 Cit Metabolite Yes Citrus Red 2 cpd:C19214 0.4 No No Met_105 Cit Metabolite Yes Calcitonin carboxyl-terminal flanking peptide cpd:C15876 0.13 No No Met_105 Cit Metabolite Yes Homocitric acid cpd:C01251 0.33 No No Met_105 Cit Metabolite Yes Citric acid cpd:C00158 0.43 No No Met_105 Cit Metabolite Yes L-Citrulline ester cpd:C02699 0.29 No No Met_105 Cit Metabolite Yes 2-Caffeoylisocitrate cpd:C02927 0.26 No No Met_105 Cit Metabolite Yes Calcitonin-related polypeptide beta cpd:C16126 0.16 No No Met_105 Cit Metabolite Yes (R)-(+)-Citronellol cpd:C09849 0.27 No No Met_105 Cit Metabolite Yes (R)-Citramalic acid cpd:C02612 0.27 No No Met_105 Cit Metabolite Yes Glycitin cpd:C16195 0.55 No No Met_105 Cit Metabolite Yes Citreorosein cpd:C17810 0.4 No No Met_105 Cit Metabolite Yes [Isocitrate dehydrogenase (NADP+)] cpd:C04125 0.16 No No Met_105 Cit Metabolite Yes Citronellal cpd:C17384 0.43 No No Met_105 Cit Metabolite Yes Volicitin cpd:C16345 0.5 No No Met_105 Cit Metabolite Yes Protein L-citrulline cpd:C03022 0.26 No No Met_105 Cit Metabolite Yes Calcitroic acid cpd:C18230 0.33 No No Met_105 Cit Metabolite Yes N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine cpd:C20333 0.14 No No Met_105 Cit Metabolite Yes (-)-threo-Homoisocitrate cpd:C05662 0.22 No No Met_105 Cit Metabolite Yes Tacalcitol cpd:C12919 0.46 No No Met_105 Cit Metabolite Yes Citronellic acid cpd:C16462 0.32 No No Met_105 Cit Metabolite Yes D-erythro-Isocitric acid cpd:C04617 0.22 No No Met_105 Cit Metabolite Yes Bacitracin cpd:C01667 0.46 No No Met_105 Cit Metabolite Yes beta-Citraurin cpd:C20894 0.35 No No Met_105 Cit Metabolite Yes Citraconic acid cpd:C02226 0.33 No No Met_105 Cit Metabolite Yes (2S,3S)-2-Methylcitrate cpd:C02225 0.23 No No Met_105 Cit Metabolite Yes Isoquercitrin cpd:C05623 0.38 No No Met_105 Cit Metabolite Yes D-Glucitol cpd:C00794 0.46 No No Met_105 Cit Metabolite Yes Citronellyl-CoA cpd:C16464 0.33 No No Met_105 Cit Metabolite Yes (3R)-Citramalyl-CoA cpd:C20746 0.27 No No Met_105 Cit Metabolite Yes D-Citramalic acid cpd:C02612 0.3 No No Met_107 DOPA Metabolite Yes N-Arachidonyl dopamine cpd:C12271 0.31 No No Met_107 DOPA Metabolite Yes Leucodopachrome cpd:C05604 0.42 No No Met_107 DOPA Metabolite Yes L-Dopachrome cpd:C01693 0.5 No No Met_107 DOPA Metabolite Yes Fenoldopam cpd:C07693 0.57 No No Met_107 DOPA Metabolite Yes Dopaquinone cpd:C00822 0.53 No No Met_107 DOPA Metabolite Yes Dopaxanthin cpd:C08543 0.53 No No Met_107 DOPA Metabolite Yes Arachidonoyl dopamine cpd:C12271 0.32 No No Met_107 DOPA Metabolite Yes Dopamine quinone cpd:C17755 0.4 No No Met_107 DOPA Metabolite Yes Dopamine 4-O-sulfate cpd:C13691 0.33 No No Met_107 DOPA Metabolite Yes Dopamine cpd:C03758 0.67 No No Met_107 DOPA Metabolite Yes 5-S-Cysteinyl-DOPA cpd:C17935 0.36 No No Met_107 DOPA Metabolite Yes Carbidopa-levodopa cpd:C06870 0.36 No No Met_107 DOPA Metabolite Yes cyclo-Dopa cpd:C05604 0.57 No No Met_107 DOPA Metabolite Yes Methyldopa cpd:C07194 0.57 No No Met_107 DOPA Metabolite Yes Dopamine 3-sulfate cpd:C13690 0.36 No No Met_107 DOPA Metabolite Yes 2-Descarboxy-cyclo-dopa cpd:C17756 0.3 No No Met_107 DOPA Metabolite Yes Dopaxanthin quinone cpd:C17753 0.35 No No Met_107 DOPA Metabolite Yes Levodopa cpd:C00355 0.67 No No Met_107 DOPA Metabolite Yes N-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-dopamine cpd:C12271 0.17 No No Met_107 DOPA Metabolite Yes cyclo-Dopa 5-O-glucoside cpd:C17751 0.29 No No Met_107 DOPA Metabolite Yes D-Dopachrome cpd:C15566 0.5 No No Met_107 DOPA Metabolite Yes 4,5-seco-Dopa cpd:C17758 0.47 No No Met_107 DOPA Metabolite Yes Indopan cpd:C20127 0.73 No No Met_107 DOPA Metabolite Yes N-Oleoyl dopamine cpd:C12272 0.38 No No Met_107 DOPA Metabolite Yes Dopamine 3-O-sulfate cpd:C13690 0.33 No No Met_107 DOPA Metabolite Yes Cysteinyldopa cpd:C17935 0.47 No No Met_107 DOPA Metabolite Yes cyclo-Dopa-glucuronylglucoside cpd:C17752 0.24 No No Met_107 DOPA Metabolite Yes Methyldopa anhydrous cpd:C07194 0.33 No No Met_108 Dopamine Metabolite Yes N-Arachidonyl dopamine cpd:C12271 0.53 No No Met_108 Dopamine Metabolite Yes Dopamine 3-sulfate cpd:C13690 0.62 No No Met_108 Dopamine Metabolite Yes Dopamine 3-O-sulfate cpd:C13690 0.57 No No Met_108 Dopamine Metabolite Yes N-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-dopamine cpd:C12271 0.31 No No Met_108 Dopamine Metabolite Yes Arachidonoyl dopamine cpd:C12271 0.55 No No Met_108 Dopamine Metabolite Yes Dopamine quinone cpd:C17755 0.67 No No Met_108 Dopamine Metabolite Yes N-Oleoyl dopamine cpd:C12272 0.64 No No Met_108 Dopamine Metabolite Yes Dopamine 4-O-sulfate cpd:C13691 0.57 No No Met_109 Glutamine Metabolite Yes N(5)-(1-Hydroxycyclopropyl)-L-glutamine cpd:C08271 0.38 No No Met_109 Glutamine Metabolite Yes N-Acyl-L-glutamine cpd:C02716 0.67 No No Met_109 Glutamine Metabolite Yes [Prokaryotic ubiquitin-like protein]-L-glutamine cpd:C21179 0.32 No No Met_109 Glutamine Metabolite Yes N5-Phospho-L-glutamine cpd:C21785 0.58 No No Met_109 Glutamine Metabolite Yes Protein L-glutamine cpd:C02583 0.64 No No Met_109 Glutamine Metabolite Yes 4-Methylene-L-glutamine cpd:C01109 0.56 No No Met_109 Glutamine Metabolite Yes (5-L-Glutamyl)-L-glutamine cpd:C05283 0.51 No No Met_109 Glutamine Metabolite Yes N-(17-Hydroxylinolenoyl)-L-glutamine cpd:C16345 0.4 No No Met_109 Glutamine Metabolite Yes N5-Phenyl-L-glutamine cpd:C20843 0.6 No No Met_109 Glutamine Metabolite Yes Protein N5-methyl-L-glutamine cpd:C20858 0.47 No No Met_109 Glutamine Metabolite Yes alpha-N-Phenylacetyl-L-glutamine cpd:C04148 0.44 No No Met_109 Glutamine Metabolite Yes alpha-N-Peptidyl-L-glutamine cpd:C03905 0.49 No No Met_109 Glutamine Metabolite Yes N5-Methyl-L-glutamine cpd:C03153 0.6 No No Met_109 Glutamine Metabolite Yes N5-Ethyl-L-glutamine cpd:C01047 0.62 No No Met_109 Glutamine Metabolite Yes N2-(2-Phenylacetyl)-L-glutamine cpd:C04148 0.45 No No Met_110 Glutamate Metabolite Yes L-Glutamate methylester cpd:C05016 0.56 No No Met_110 Glutamate Metabolite Yes [L-Glutamate:ammonia ligase (ADP-forming)] inactive form cpd:C01299 0.28 No No Met_110 Glutamate Metabolite Yes Protein L-glutamate O5-methyl ester cpd:C04142 0.41 No No Met_110 Glutamate Metabolite Yes [Lysine-biosynthesis-protein LysW]-C-terminal-gamma-(L-2-aminoadip-2-yl)-L-glutamate cpd:C19886 0.19 No No Met_110 Glutamate Metabolite Yes [L-Glutamate:ammonia ligase (ADP-forming)]-O4-(5'-adenylyl)-L-tyrosine cpd:C01299 0.23 No No Met_110 Glutamate Metabolite Yes alpha-N-Peptidyl-L-glutamate cpd:C03904 0.49 No No Met_110 Glutamate Metabolite Yes N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate cpd:C20776 0.35 No No Met_110 Glutamate Metabolite Yes 5-Methyltetrahydropteroyltri-L-glutamate cpd:C04489 0.37 No No Met_110 Glutamate Metabolite Yes Adenylyl-[L-glutamate:ammonia ligase (ADP-forming)] cpd:C01299 0.3 No No Met_110 Glutamate Metabolite Yes N-Formimidoyl-L-glutamate cpd:C00439 0.53 No No Met_110 Glutamate Metabolite Yes N-Acetyl-L-aspartyl-L-glutamate cpd:C12270 0.45 No No Met_110 Glutamate Metabolite Yes [L-Glutamate:ammonia ligase (ADP-forming)] cpd:C01281 0.35 No No Met_110 Glutamate Metabolite Yes N-Acetyl-L-glutamate cpd:C00624 0.62 No No Met_110 Glutamate Metabolite Yes L-Glutamate 1-semialdehyde cpd:C03741 0.51 No No Met_110 Glutamate Metabolite Yes N-Succinyl-L-glutamate 5-semialdehyde cpd:C05932 0.39 No No Met_110 Glutamate Metabolite Yes THF-L-glutamate cpd:C09332 0.75 No No Met_110 Glutamate Metabolite Yes N-Amidino-L-glutamate cpd:C03140 0.6 No No Met_110 Glutamate Metabolite Yes N-[(2S)-2-Amino-2-carboxyethyl]-L-glutamate cpd:C21559 0.35 No No Met_110 Glutamate Metabolite Yes beta-Citryl-L-glutamate cpd:C20775 0.56 No No Met_110 Glutamate Metabolite Yes L-Glutamate 5-semialdehyde cpd:C01165 0.51 No No Met_110 Glutamate Metabolite Yes N-Formimino-L-glutamate cpd:C00439 0.56 No No Met_110 Glutamate Metabolite Yes N-Formyl-L-glutamate cpd:C01045 0.62 No No Met_110 Glutamate Metabolite Yes Tetrahydropteroyltri-L-glutamate cpd:C04144 0.44 No No Met_110 Glutamate Metabolite Yes N-Methyl-L-glutamate cpd:C01046 0.62 No No Met_110 Glutamate Metabolite Yes (5-L-Glutamyl)-L-glutamate cpd:C05282 0.51 No No Met_110 Glutamate Metabolite Yes L-Alanyl-L-glutamate cpd:C20958 0.62 No No Met_110 Glutamate Metabolite Yes N-Succinyl-L-glutamate cpd:C05931 0.58 No No Met_110 Glutamate Metabolite Yes N-Acetyl-L-glutamate 5-semialdehyde cpd:C01250 0.41 No No Met_110 Glutamate Metabolite Yes 4-Methylene-L-glutamate cpd:C00651 0.56 No No Met_110 Glutamate Metabolite Yes Protein L-glutamate methyl ester cpd:C04142 0.44 No No Met_110 Glutamate Metabolite Yes N-Acetyl-L-glutamate 5-phosphate cpd:C04133 0.44 No No Met_110 Glutamate Metabolite Yes Peptidyl-glutamate cpd:C06247 0.67 No No Met_110 Glutamate Metabolite Yes LysW-L-glutamate cpd:C20948 0.72 No No Met_110 Glutamate Metabolite Yes 4-Hydroxy-L-glutamate cpd:C03079 0.6 No No Met_110 Glutamate Metabolite Yes [Lysine-biosynthesis-protein LysW]-C-terminal-L-glutamate cpd:C19885 0.27 No No Met_110 Glutamate Metabolite Yes L-Glutamate 5-phosphate cpd:C03287 0.56 No No Met_110 Glutamate Metabolite Yes L-Glutamate gamma-semialdehyde cpd:C01165 0.46 No No Met_110 Glutamate Metabolite Yes 3-Hydroxy-L-glutamate cpd:C03066 0.6 No No Met_110 Glutamate Metabolite Yes [L-Glutamate:ammonia ligase (ADP-forming)]-L-tyrosine cpd:C01281 0.29 No No Met_110 Glutamate Metabolite Yes LysW-L-glutamate 5-semialdehyde cpd:C20950 0.45 No No Met_110 Glutamate Metabolite Yes 10-Formyl-THF-L-glutamate cpd:C05928 0.53 No No Met_110 Glutamate Metabolite Yes Protein L-glutamate cpd:C00614 0.64 No No Met_110 Glutamate Metabolite Yes 4-Methyl-L-glutamate cpd:C06234 0.62 No No Met_110 Glutamate Metabolite Yes [Prokaryotic ubiquitin-like protein]-L-glutamate cpd:C21177 0.32 No No Met_110 Glutamate Metabolite Yes N-Long-chain-fatty-acyl-L-glutamate cpd:C04305 0.41 No No Met_110 Glutamate Metabolite Yes N-Carbamyl-L-glutamate cpd:C05829 0.58 No No Met_111 Gly Metabolite Yes alpha-(Methylenecyclopropyl)glycine cpd:C08292 0.16 No No Met_111 Gly Metabolite Yes N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine cpd:C00051 0.14 No No Met_111 Gly Metabolite Yes N-Formiminoglycine cpd:C02718 0.29 No No Met_111 Gly Metabolite Yes 3-Hydroxymonoethylglycinexylidide cpd:C16572 0.17 No No Met_111 Gly Metabolite Yes Glycine anhydride cpd:C02777 0.3 No No Met_111 Gly Metabolite Yes 5-Tetrazolyl-glycine cpd:C13738 0.26 No No Met_111 Gly Metabolite Yes gamma-L-Glutamyl-L-2-aminobutyrylglycine cpd:C21016 0.14 No No Met_111 Gly Metabolite Yes L-Phenylglycine cpd:C18623 0.33 No No Met_111 Gly Metabolite Yes Phenylglycine cpd:C18623 0.38 No No Met_111 Gly Metabolite Yes Isonicotinylglycine cpd:C16623 0.27 No No Met_111 Gly Metabolite Yes Phenylacetylglycine dimethylamide cpd:C12958 0.17 No No Met_111 Gly Metabolite Yes N-(2-Hydroxybenzoyl)-glycine cpd:C07588 0.19 No No Met_111 Gly Metabolite Yes Monoethylglycinexylidide cpd:C16561 0.22 No No Met_111 Gly Metabolite Yes N-Glycylglycine cpd:C02037 0.33 No No Met_111 Gly Metabolite Yes Peptidyl(2-hydroxyglycine) cpd:C03303 0.21 No No Met_111 Gly Metabolite Yes (L-Cysteinylglycine-S-yl)(1H-indol-3-yl)acetonitrile cpd:C21665 0.11 No No Met_111 Gly Metabolite Yes Glycinexylidide cpd:C16569 0.33 No No Met_111 Gly Metabolite Yes (Z)-1-(L-Cysteinylglycine-S-yl)-N-hydroxy-2-phenylethane-1-imine cpd:C21667 0.09 No No Met_111 Gly Metabolite Yes Tet-glycine cpd:C13738 0.43 No No Met_111 Gly Metabolite Yes 4-Hydroxyphenylacetylglycine cpd:C05596 0.19 No No Met_111 Gly Metabolite Yes L-Cysteinylglycine cpd:C01419 0.29 No No Met_111 Gly Metabolite Yes (S)-Ureidoglycine cpd:C02091 0.3 No No Met_111 Gly Metabolite Yes 2,2-Dialkylglycine cpd:C02623 0.29 No No Met_111 Gly Metabolite Yes (E)-1-(L-Cysteinylglycine-S-yl)-N-hydroxy-omega-(methylsulfanyl)alkane-1-imine cpd:C21662 0.07 No No Met_111 Gly Metabolite Yes N-(4-Oxoglutaryl)-L-cysteinylglycine cpd:C21858 0.15 No No Met_111 Gly Metabolite Yes N-Feruloylglycine cpd:C02564 0.3 No No Met_111 Gly Metabolite Yes Dimethylglycine cpd:C01026 0.33 No No Met_111 Gly Metabolite Yes 3-Methylcrotonylglycine cpd:C20828 0.23 No No Met_111 Gly Metabolite Yes Hypoglycine B cpd:C08280 0.38 No No Met_111 Gly Metabolite Yes Nicotinylglycine cpd:C05380 0.32 No No Met_111 Gly Metabolite Yes Hypoglycine A cpd:C08287 0.38 No No Met_111 Gly Metabolite Yes Sulfolithocholylglycine cpd:C11301 0.23 No No Met_111 Gly Metabolite Yes R-S-Cysteinylglycine cpd:C05729 0.26 No No Met_111 Gly Metabolite Yes 3,5-Dihydroxy-phenylglycine cpd:C12026 0.2 No No Met_111 Gly Metabolite Yes N-Methylglycine cpd:C00213 0.33 No No Met_111 Gly Metabolite Yes 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine cpd:C01921 0.1 No No Met_111 Gly Metabolite Yes p-Hydroxyphenylacetylglycine cpd:C05596 0.19 No No Met_111 Gly Metabolite Yes Poly(gamma-glutamylcysteine)glycine cpd:C02471 0.16 No No Met_111 Gly Metabolite Yes N-Ethylglycine cpd:C11735 0.35 No No Met_111 Gly Metabolite Yes N,N-Diethylglycine cpd:C16647 0.29 No No Met_111 Gly Metabolite Yes Alkyldiaminoethylglycine hydrochloride cpd:C18370 0.15 No No Met_111 Gly Metabolite Yes N-[3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]glycine cpd:C02564 0.1 No No Met_111 Gly Metabolite Yes Glycylglycine cpd:C02037 0.38 No No Met_111 Gly Metabolite Yes N-CBZ-glycine cpd:C03710 0.38 No No Met_111 Gly Metabolite Yes D-4-Hydroxyphenylglycine cpd:C03493 0.22 No No Met_111 Gly Metabolite Yes (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine cpd:C01313 0.08 No No Met_111 Gly Metabolite Yes N-Formimidoylglycine cpd:C02718 0.26 No No Met_111 Gly Metabolite Yes 5-Hydroxyindoleacetylglycine cpd:C05832 0.19 No No Met_111 Gly Metabolite Yes 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oylglycine cpd:C05464 0.11 No No Met_111 Gly Metabolite Yes Iminoglycine cpd:C15809 0.4 No No Met_111 Gly Metabolite Yes Formiminoglycine cpd:C02718 0.32 No No Met_111 Gly Metabolite Yes N-Acylglycine cpd:C02055 0.38 No No Met_111 Gly Metabolite Yes 5-L-Glutamyl-L-cysteinylglycine cpd:C00051 0.18 No No Met_111 Gly Metabolite Yes gamma-L-Glutamyl-L-cysteinyl-glycine cpd:C00051 0.15 No No Met_111 Gly Metabolite Yes Alkylpolyaminoethylglycine hydrochloride cpd:C18370 0.14 No No Met_111 Gly Metabolite Yes N-Benzoylglycine cpd:C01586 0.32 No No Met_111 Gly Metabolite Yes (S)-3,5-Dihydroxyphenylglycine cpd:C12026 0.18 No No Met_111 Gly Metabolite Yes N-Amidinoglycine cpd:C00581 0.32 No No Met_111 Gly Metabolite Yes N,N-Dimethylglycine cpd:C01026 0.27 No No Met_111 Gly Metabolite Yes N-Carbamoyl-2-oxoglycine cpd:C00802 0.22 No No Met_111 Gly Metabolite Yes N,N,N-Trimethylglycine cpd:C00719 0.24 No No Met_111 Gly Metabolite Yes (E)-1-(L-Cysteinylglycine-S-yl)-N-hydroxy-2-(1H-indol-3-yl)ethane-1-imine cpd:C21663 0.08 No No Met_111 Gly Metabolite Yes Glycine betaine cpd:C00719 0.33 No No Met_111 Gly Metabolite Yes L-3,5-Dihydroxyphenylglycine cpd:C12026 0.19 No No Met_111 Gly Metabolite Yes Protein glycine cpd:C05197 0.33 No No Met_111 Gly Metabolite Yes [Enzyme]-glycine cpd:C05197 0.32 No No Met_111 Gly Metabolite Yes (S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]glycine benzyl ester cpd:C01315 0.07 No No Met_111 Gly Metabolite Yes Peptidylglycine cpd:C02303 0.33 No No Met_111 Gly Metabolite Yes (gamma-Glutamylcysteine)n-glycine cpd:C02471 0.17 No No Met_111 Gly Metabolite Yes N-Benzyloxycarbonylglycine cpd:C03710 0.21 No No Met_111 Gly Metabolite Yes Phenylacetylglycine cpd:C05598 0.27 No No Met_111 Gly Metabolite Yes L-4-Hydroxyphenylglycine cpd:C12323 0.22 No No Met_112 Histidine Metabolite Yes Nalpha-(beta-alanyl)-L-histidine cpd:C00386 0.44 No No Met_112 Histidine Metabolite Yes Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine cpd:C05575 0.35 No No Met_112 Histidine Metabolite Yes beta-Alanyl-N(pi)-methyl-L-histidine cpd:C01262 0.4 No No Met_112 Histidine Metabolite Yes Protein N(tau)-phospho-L-histidine cpd:C04262 0.42 No No Met_112 Histidine Metabolite Yes Protein N-tele-phospho-L-histidine cpd:C04262 0.42 No No Met_112 Histidine Metabolite Yes Protein Npi-phospho-L-histidine cpd:C04261 0.45 No No Met_112 Histidine Metabolite Yes N(pi)-Methyl-L-histidine cpd:C01152 0.55 No No Met_112 Histidine Metabolite Yes Peptide 2-(3-carboxy-3-aminopropyl)-L-histidine cpd:C04441 0.32 No No Met_112 Histidine Metabolite Yes 2-[(3S)-3-Carboxy-3-(dimethylamino)propyl]-L-histidine-[translation elongation factor 2] cpd:C16720 0.19 No No Met_112 Histidine Metabolite Yes [Protein]-L-histidine cpd:C00615 0.6 No No Met_112 Histidine Metabolite Yes N-Methyl-L-histidine cpd:C03298 0.62 No No Met_112 Histidine Metabolite Yes 2-[(3S)-3-Carboxy-3-(methylamino)propyl]-L-histidine-[translation elongation factor 2] cpd:C04692 0.19 No No Met_112 Histidine Metabolite Yes EF-2 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine cpd:C04692 0.29 No No Met_112 Histidine Metabolite Yes Protein N(tau)-methyl-L-histidine cpd:C04087 0.43 No No Met_112 Histidine Metabolite Yes Nalpha,Nalpha-Dimethyl-L-histidine cpd:C04259 0.42 No No Met_112 Histidine Metabolite Yes 2-[3-Carboxy-3-(methylammonio)propyl]-L-histidine cpd:C04692 0.31 No No Met_112 Histidine Metabolite Yes 2-[(3S)-3-Amino-3-carboxypropyl]-L-histidine-[translation elongation factor 2] cpd:C04441 0.21 No No Met_112 Histidine Metabolite Yes 2-[3-Carboxy-3-(dimethylammonio)propyl]-L-histidine cpd:C16720 0.3 No No Met_112 Histidine Metabolite Yes N-pros-Methyl-L-histidine cpd:C01152 0.53 No No Met_112 Histidine Metabolite Yes Nalpha,Nalpha,Nalpha-Trimethyl-2-(hydroxysulfanyl)-L-histidine cpd:C21731 0.25 No No Met_112 Histidine Metabolite Yes Peptide 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine cpd:C04692 0.27 No No Met_112 Histidine Metabolite Yes Protein N(pi)-phospho-L-histidine cpd:C04261 0.43 No No Met_112 Histidine Metabolite Yes N-Acetyl-L-histidine cpd:C02997 0.62 No No Met_112 Histidine Metabolite Yes Protein L-histidine cpd:C00615 0.64 No No Met_112 Histidine Metabolite Yes 2-(3-Carboxy-3-aminopropyl)-L-histidine cpd:C04441 0.38 No No Met_112 Histidine Metabolite Yes Protein N-tele-methyl-L-histidine cpd:C04087 0.43 No No Met_112 Histidine Metabolite Yes Peptide 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine cpd:C16720 0.26 No No Met_112 Histidine Metabolite Yes Protein N-pros-phospho-L-histidine cpd:C04261 0.42 No No Met_112 Histidine Metabolite Yes L-Histidine-[translation elongation factor 2] cpd:C20663 0.33 No No Met_112 Histidine Metabolite Yes EF-2 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine cpd:C16720 0.28 No No Met_112 Histidine Metabolite Yes Elongation factor 2 2-[3-carboxy-3-(dimethylammonio)propyl]-L-histidine cpd:C16720 0.23 No No Met_112 Histidine Metabolite Yes N-Aminoacyl-L-histidine cpd:C03095 0.56 No No Met_112 Histidine Metabolite Yes EF-2 2-(3-carboxy-3-aminopropyl)-L-histidine cpd:C04441 0.34 No No Met_112 Histidine Metabolite Yes Elongation factor 2 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine cpd:C04692 0.23 No No Met_113 Histamine Metabolite Yes 1-Methylhistamine cpd:C05127 0.69 No No Met_113 Histamine Metabolite Yes 2-Methylhistamine cpd:C17928 0.69 No No Met_113 Histamine Metabolite Yes N-Acetylhistamine cpd:C05135 0.69 No No Met_113 Histamine Metabolite Yes 4-Methylhistamine cpd:C17929 0.69 No No Met_113 Histamine Metabolite Yes N-Guanylhistamine cpd:C07454 0.69 No No Met_113 Histamine Metabolite Yes N(alpha)-gamma-L-Glutamylhistamine cpd:C04138 0.42 No No Met_113 Histamine Metabolite Yes N-Methylhistamine cpd:C05127 0.69 No No Met_113 Histamine Metabolite Yes Ntau-Methylhistamine cpd:C05127 0.62 No No Met_113 Histamine Metabolite Yes Nalpha-gamma-L-glutamylhistamine cpd:C04138 0.44 No No Met_114 Ile Metabolite Yes (-)-Jasmonoyl-L-isoleucine cpd:C18699 0.21 No No Met_114 Ile Metabolite Yes N,N-Dihydroxy-L-isoleucine cpd:C20311 0.21 No No Met_114 Ile Metabolite Yes N-Hydroxy-L-isoleucine cpd:C20310 0.24 No No Met_114 Ile Metabolite Yes (4S)-4-Hydroxy-L-isoleucine cpd:C20802 0.2 No No Met_114 Ile Metabolite Yes 3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine cpd:C20963 0.09 No No Met_115 Kynurenine Metabolite Yes 3-Hydroxy-DL-kynurenine cpd:C02794 0.61 No No Met_115 Kynurenine Metabolite Yes L-Kynurenine cpd:C00328 0.9 No No Met_115 Kynurenine Metabolite Yes 3-Hydroxy-L-kynurenine cpd:C03227 0.63 No No Met_115 Kynurenine Metabolite Yes 5-Hydroxy-N-formyl-L-kynurenine cpd:C05648 0.49 No No Met_115 Kynurenine Metabolite Yes 5-Hydroxy-N-formylkynurenine cpd:C05648 0.53 No No Met_115 Kynurenine Metabolite Yes 5-Hydroxykynurenine cpd:C05651 0.69 No No Met_115 Kynurenine Metabolite Yes Peptide formylkynurenine cpd:C03529 0.59 No No Met_115 Kynurenine Metabolite Yes N-Formyl-L-kynurenine cpd:C02700 0.65 No No Met_115 Kynurenine Metabolite Yes 3-Hydroxykynurenine cpd:C02794 0.69 No No Met_115 Kynurenine Metabolite Yes N-Formylkynurenine cpd:C02700 0.71 No No Met_115 Kynurenine Metabolite Yes N-Formyl-D-kynurenine cpd:C15605 0.65 No No Met_115 Kynurenine Metabolite Yes L-Formylkynurenine cpd:C02700 0.71 No No Met_115 Kynurenine Metabolite Yes 5-Hydroxy-L-kynurenine cpd:C05651 0.63 No No Met_116 Leu Metabolite Yes N(alpha)-t-Butoxycarbonyl-L-leucine cpd:C04301 0.16 No No Met_116 Leu Metabolite Yes N-Acetyl-L-leucine cpd:C02710 0.29 No No Met_116 Leu Metabolite Yes 3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-leucine cpd:C20964 0.1 No No Met_116 Leu Metabolite Yes N(alpha)-Benzyloxycarbonyl-L-leucine cpd:C04335 0.15 No No Met_116 Leu Metabolite Yes N-Acetyl-leucyl-leucine cpd:C11333 0.23 No No Met_116 Leu Metabolite Yes Leucyl-leucine cpd:C11332 0.35 No No Met_116 Leu Metabolite Yes Glycyl-L-leucine cpd:C02155 0.32 No No Met_116 Leu Metabolite Yes Glycyl-leucine cpd:C02155 0.35 No No Met_117 Lys Metabolite Yes N6-(D-Psicosyl)-L-lysine cpd:C21616 0.22 No No Met_117 Lys Metabolite Yes UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine cpd:C05892 0.1 No No Met_117 Lys Metabolite Yes [RbcL]-trimethyl-L-lysine cpd:C06404 0.21 No No Met_117 Lys Metabolite Yes UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-L-lysine cpd:C05892 0.09 No No Met_117 Lys Metabolite Yes N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine cpd:C20333 0.14 No No Met_117 Lys Metabolite Yes Protein N6-(4-Aminobutyl)-L-lysine cpd:C07282 0.16 No No Met_117 Lys Metabolite Yes O-Phosphohydroxy-L-lysine cpd:C03366 0.21 No No Met_117 Lys Metabolite Yes Calmodulin N6-methyl-L-lysine cpd:C03941 0.19 No No Met_117 Lys Metabolite Yes N(6)-[(Indol-3-yl)acetyl]-L-lysine cpd:C04211 0.16 No No Met_117 Lys Metabolite Yes [alpha-Tubulin]-N6-acetyl-L-lysine cpd:C04149 0.16 No No Met_117 Lys Metabolite Yes N5-[Amino(sulfoamino)phosphinyl]-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine cpd:C08440 0.07 No No Met_117 Lys Metabolite Yes (5R)-5-Hydroxy-L-lysine cpd:C16741 0.23 No No Met_117 Lys Metabolite Yes Protein N6,N6,N6-trimethyl-L-lysine cpd:C05546 0.16 No No Met_117 Lys Metabolite Yes beta-Alanyl-L-lysine cpd:C05341 0.26 No No Met_117 Lys Metabolite Yes Phosphoallohydroxy-L-lysine cpd:C16743 0.2 No No Met_117 Lys Metabolite Yes [Biotin carboxyl-carrier protein]-L-lysine cpd:C06249 0.13 No No Met_117 Lys Metabolite Yes Peptidyl-L-lysine cpd:C02188 0.3 No No Met_117 Lys Metabolite Yes N6,N6,N6-Trimethyl-L-lysine cpd:C03793 0.2 No No Met_117 Lys Metabolite Yes Protein N6-methyl-L-lysine cpd:C05544 0.21 No No Met_117 Lys Metabolite Yes [Biotin carboxyl-carrier protein]-biotin-N6-L-lysine cpd:C06250 0.11 No No Met_117 Lys Metabolite Yes N6-[(Indol-3-yl)acetyl]-L-lysine cpd:C04211 0.17 No No Met_117 Lys Metabolite Yes [Biotin carboxyl-carrier protein]-carboxybiotin-N6-L-lysine cpd:C04419 0.1 No No Met_117 Lys Metabolite Yes 1,2-D-Glucosyl-5-D-(galactosyloxy)-L-lysine-procollagen cpd:C04759 0.1 No No Met_117 Lys Metabolite Yes Histone-L-lysine cpd:C02415 0.32 No No Met_117 Lys Metabolite Yes [Procollagen]-(2S,5R)-5-hydroxy-L-lysine cpd:C01211 0.14 No No Met_117 Lys Metabolite Yes Allohydroxy-L-lysine cpd:C16742 0.26 No No Met_117 Lys Metabolite Yes UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine cpd:C05892 0.12 No No Met_117 Lys Metabolite Yes (5R)-5-Phosphooxy-L-lysine cpd:C03366 0.21 No No Met_117 Lys Metabolite Yes 5-(D-Galactosyloxy)-L-lysine-procollagen cpd:C04487 0.14 No No Met_117 Lys Metabolite Yes [Fructose-bisphosphate aldolase]-N6,N6,N6-trimethyl-L-lysine cpd:C21365 0.1 No No Met_117 Lys Metabolite Yes Protein N6,N6-dimethyl-L-lysine cpd:C05545 0.18 No No Met_117 Lys Metabolite Yes N2-Acetyl-L-lysine cpd:C12989 0.29 No No Met_117 Lys Metabolite Yes N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine cpd:C04876 0.08 No No Met_117 Lys Metabolite Yes Protein N6-(1-hydroxy-2-oxopropyl)-L-lysine cpd:C21467 0.13 No No Met_117 Lys Metabolite Yes (5R)-5-Phosphonooxy-L-lysine cpd:C03366 0.19 No No Met_117 Lys Metabolite Yes 5-Phosphonooxy-L-lysine cpd:C03366 0.23 No No Met_117 Lys Metabolite Yes [Ribulose-1,5-bisphosphate carboxylase]-L-lysine cpd:C06403 0.12 No No Met_117 Lys Metabolite Yes [Ribulose-1,5-bisphosphate carboxylase]-N6,N6,N6-trimethyl-L-lysine cpd:C06404 0.09 No No Met_117 Lys Metabolite Yes N2-(D-1-Carboxyethyl)-L-lysine cpd:C04020 0.18 No No Met_117 Lys Metabolite Yes L-Lysine 1,6-lactam cpd:C02837 0.27 No No Met_117 Lys Metabolite Yes UDP-N-acetylmuramoyl-L-alanyl-alpha-D-glutamyl-L-lysine cpd:C04700 0.1 No No Met_117 Lys Metabolite Yes [RbcL]-L-lysine cpd:C06403 0.33 No No Met_117 Lys Metabolite Yes allo-Hydroxy-L-lysine cpd:C16742 0.25 No No Met_117 Lys Metabolite Yes [Biotin carboxyl-carrier protein]-N6-carboxybiotinyl-L-lysine cpd:C04419 0.09 No No Met_117 Lys Metabolite Yes N6-(D-Fructosyl)-L-lysine cpd:C16488 0.21 No No Met_117 Lys Metabolite Yes [alpha-Tubulin]-L-lysine cpd:C03318 0.22 No No Met_117 Lys Metabolite Yes Cytochrome c N6-methyl-L-lysine cpd:C04061 0.18 No No Met_117 Lys Metabolite Yes [Lipoyl-carrier protein]-L-lysine cpd:C16240 0.17 No No Met_117 Lys Metabolite Yes [Protein]-N6-(1-hydroxy-2-oxopropyl)-L-lysine cpd:C21467 0.13 No No Met_117 Lys Metabolite Yes Procollagen 5-(D-galactosyl)-L-lysine cpd:C04487 0.15 No No Met_117 Lys Metabolite Yes [Biotin carboxyl-carrier protein]-N6-biotinyl-L-lysine cpd:C06250 0.11 No No Met_117 Lys Metabolite Yes Histone N6-acetyl-L-lysine cpd:C01997 0.21 No No Met_117 Lys Metabolite Yes Protein N6-acetyl-L-lysine cpd:C20743 0.21 No No Met_117 Lys Metabolite Yes Protein N6-[(R)-4-amino-2-hydroxybutyl]-L-lysine cpd:C04679 0.12 No No Met_117 Lys Metabolite Yes Histone N6-methyl-L-lysine cpd:C03702 0.21 No No Met_117 Lys Metabolite Yes N6-Hydroxy-L-lysine cpd:C01028 0.27 No No Met_117 Lys Metabolite Yes LysW-gamma-L-lysine cpd:C19889 0.27 No No Met_117 Lys Metabolite Yes L-Alanyl-gamma-D-glutamyl-L-lysine cpd:C21160 0.16 No No Met_117 Lys Metabolite Yes 2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine cpd:C06446 0.13 No No Met_117 Lys Metabolite Yes [Ribulose-bisphosphate carboxylase large chain]-L-lysine cpd:C06403 0.1 No No Met_117 Lys Metabolite Yes N6-D-Biotinyl-L-lysine cpd:C05552 0.24 No No Met_117 Lys Metabolite Yes 5-Hydroxy-L-lysine cpd:C16741 0.29 No No Met_117 Lys Metabolite Yes 2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide cpd:C06447 0.12 No No Met_117 Lys Metabolite Yes epsilon-(gamma-L-Glutamyl)-L-lysine cpd:C21730 0.16 No No Met_117 Lys Metabolite Yes N6-Methyl-L-lysine cpd:C02728 0.29 No No Met_117 Lys Metabolite Yes Procollagen L-lysine cpd:C16740 0.26 No No Met_117 Lys Metabolite Yes Procollagen 5-hydroxy-L-lysine cpd:C01211 0.18 No No Met_117 Lys Metabolite Yes 5-Phosphooxy-L-lysine cpd:C03366 0.25 No No Met_117 Lys Metabolite Yes N6-Acetyl-L-lysine cpd:C02727 0.29 No No Met_117 Lys Metabolite Yes 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine cpd:C01259 0.15 No No Met_117 Lys Metabolite Yes [Ribulose-bisphosphate carboxylase large chain]-N6,N6,N6-trimethyl-L-lysine cpd:C06404 0.08 No No Met_117 Lys Metabolite Yes [Protein]-L-lysine cpd:C02188 0.29 No No Met_117 Lys Metabolite Yes Cytochrome c L-lysine cpd:C03105 0.25 No No Met_117 Lys Metabolite Yes epsilon-N-Biotinyl-L-lysine cpd:C05552 0.2 No No Met_117 Lys Metabolite Yes N6-Acetyl-N6-hydroxy-L-lysine cpd:C03955 0.19 No No Met_117 Lys Metabolite Yes N6-(L-1,3-Dicarboxypropyl)-L-lysine cpd:C00449 0.16 No No Met_117 Lys Metabolite Yes 8-L-Lysine vasopressin cpd:C07105 0.24 No No Met_117 Lys Metabolite Yes Calmodulin L-lysine cpd:C02816 0.27 No No Met_117 Lys Metabolite Yes [Fructose-bisphosphate aldolase]-L-lysine cpd:C21364 0.14 No No Met_117 Lys Metabolite Yes N6-([Prokaryotic ubiquitin-like protein]-gamma-L-glutamyl)-[protein]-L-lysine cpd:C21178 0.07 No No Met_117 Lys Metabolite Yes Procollagen 5-(D-galactosyloxy)-L-lysine cpd:C04487 0.14 No No Met_117 Lys Metabolite Yes N6-Acyl-L-lysine cpd:C02444 0.32 No No Met_118 Met Metabolite Yes L-Methionine sulfoximine cpd:C03510 0.22 No No Met_118 Met Metabolite Yes Aminoacyl-L-methionine cpd:C05524 0.24 No No Met_118 Met Metabolite Yes L-Methionine (S)-S-oxide cpd:C15999 0.22 No No Met_118 Met Metabolite Yes S-Adenosyl-L-methionine cpd:C00019 0.23 No No Met_118 Met Metabolite Yes L-Methionine S-oxide cpd:C02989 0.26 No No Met_118 Met Metabolite Yes Peptide-L-methionine (S)-S-oxide cpd:C03895 0.17 No No Met_118 Met Metabolite Yes Peptide-L-methionine (R)-S-oxide cpd:C15653 0.17 No No Met_118 Met Metabolite Yes N-Formyl-L-methionine cpd:C03145 0.25 No No Met_118 Met Metabolite Yes [F-actin]-L-methionine cpd:C21377 0.24 No No Met_118 Met Metabolite Yes L-Methionine (R)-S-oxide cpd:C15998 0.22 No No Met_118 Met Metabolite Yes [F-actin]-L-methionine-(R)-S-oxide cpd:C21378 0.16 No No Met_118 Met Metabolite Yes N-Acetyl-L-methionine cpd:C02712 0.25 No No Met_118 Met Metabolite Yes S-Methyl-L-methionine cpd:C03172 0.25 No No Met_118 Met Metabolite Yes Peptide-L-methionine cpd:C03023 0.26 No No Met_118 Met Metabolite Yes [Cytochrome c] L-methionine cpd:C05205 0.2 No No Met_118 Met Metabolite Yes [Cytochrome c] S-methyl-L-methionine cpd:C05319 0.15 No No Met_120 Orn Metabolite Yes Tricornine cpd:C08715 0.46 No No Met_120 Orn Metabolite Yes L-Ornithine cpd:C00077 0.43 No No Met_120 Orn Metabolite Yes Nornitrogen mustard cpd:C16552 0.27 No No Met_120 Orn Metabolite Yes l-Borneol cpd:C01766 0.5 No No Met_120 Orn Metabolite Yes Corniculatusin cpd:C04527 0.35 No No Met_120 Orn Metabolite Yes endo-2-Bornanol cpd:C01765 0.33 No No Met_120 Orn Metabolite Yes N5-[Amino(sulfoamino)phosphinyl]-L-ornithyl-L-alanyl-N6-(aminoiminomethyl)-L-lysine cpd:C08440 0.07 No No Met_120 Orn Metabolite Yes Nornicotine cpd:C06524 0.43 No No Met_120 Orn Metabolite Yes (+)-Nornicotine cpd:C11360 0.33 No No Met_120 Orn Metabolite Yes d-Borneol cpd:C01765 0.5 No No Met_120 Orn Metabolite Yes (2R,3R)-3-Methylornithinyl-N6-lysine cpd:C20278 0.15 No No Met_120 Orn Metabolite Yes Ergocornine cpd:C09162 0.43 No No Met_120 Orn Metabolite Yes Chlornaphazine cpd:C16446 0.35 No No Met_120 Orn Metabolite Yes 14-Dihydroxycornestin cpd:C08483 0.25 No No Met_120 Orn Metabolite Yes (+)-Bornyl diphosphate cpd:C03190 0.24 No No Met_120 Orn Metabolite Yes Bornyl acetate cpd:C11338 0.35 No No Met_120 Orn Metabolite Yes Eflornithine cpd:C07997 0.4 No No Met_120 Orn Metabolite Yes (-)-Borneol cpd:C01766 0.43 No No Met_120 Orn Metabolite Yes Borneocamphor cpd:C01765 0.38 No No Met_120 Orn Metabolite Yes Bornane-2,6-dione cpd:C20320 0.3 No No Met_120 Orn Metabolite Yes Cornexistin cpd:C08483 0.43 No No Met_120 Orn Metabolite Yes D-Ornithine hydrochloride cpd:C11320 0.21 No No Met_120 Orn Metabolite Yes N2,N5-Dibenzoyl-L-ornithine cpd:C03712 0.2 No No Met_120 Orn Metabolite Yes N5-Acyl-L-ornithine ester cpd:C03625 0.21 No No Met_120 Orn Metabolite Yes D-Bornesitol cpd:C03659 0.4 No No Met_120 Orn Metabolite Yes N5-Hydroxy-L-ornithine cpd:C20850 0.24 No No Met_120 Orn Metabolite Yes N5-[Imino(phosphonoamino)methyl]L-ornithine cpd:C05945 0.13 No No Met_120 Orn Metabolite Yes Lyso-ornithine lipid cpd:C21680 0.26 No No Met_120 Orn Metabolite Yes N-Methylornithine lipid cpd:C21673 0.23 No No Met_120 Orn Metabolite Yes N2-Acetyl-L-ornithine cpd:C00437 0.25 No No Met_120 Orn Metabolite Yes Ornaline cpd:C01683 0.55 No No Met_120 Orn Metabolite Yes Ornithine cpd:C01602 0.5 No No Met_120 Orn Metabolite Yes (1S,2R,4S)-(-)-Bornyl acetate cpd:C09837 0.19 No No Met_120 Orn Metabolite Yes N,N,N-Trimethylornithine lipid cpd:C21675 0.18 No No Met_120 Orn Metabolite Yes delta-N-Hydroxyornithine cpd:C20850 0.22 No No Met_120 Orn Metabolite Yes 9,10-Dihydroergocornine methanesulfonate cpd:C14053 0.14 No No Met_120 Orn Metabolite Yes LysW-L-ornithine cpd:C20951 0.32 No No Met_120 Orn Metabolite Yes L-Ornithuric acid cpd:C03712 0.3 No No Met_120 Orn Metabolite Yes Alchorneine cpd:C10566 0.43 No No Met_120 Orn Metabolite Yes (-)-Bornesitol cpd:C03659 0.35 No No Met_120 Orn Metabolite Yes (2R,3R)-3-Methylornithine cpd:C20277 0.21 No No Met_120 Orn Metabolite Yes 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dicarboxylic acid cpd:C19204 0.1 No No Met_120 Orn Metabolite Yes (1S,2R,4S)-(-)-Borneol cpd:C01766 0.24 No No Met_120 Orn Metabolite Yes Ornithine lipid cpd:C21672 0.33 No No Met_120 Orn Metabolite Yes (3R)-3-Methyl-D-ornithine cpd:C20277 0.21 No No Met_120 Orn Metabolite Yes Bornyval cpd:C16920 0.55 No No Met_120 Orn Metabolite Yes Cornin (glycoside) cpd:C09802 0.29 No No Met_120 Orn Metabolite Yes Alchornine cpd:C10567 0.46 No No Met_120 Orn Metabolite Yes (1R,2S,4R)-(+)-Borneol cpd:C01765 0.24 No No Met_120 Orn Metabolite Yes 2-Methylisoborneol cpd:C20243 0.29 No No Met_120 Orn Metabolite Yes Bornyl isovalerate cpd:C16920 0.29 No No Met_120 Orn Metabolite Yes Euphornin cpd:C19991 0.5 No No Met_120 Orn Metabolite Yes (+)-Bornesitol cpd:C03660 0.35 No No Met_120 Orn Metabolite Yes DL-Ornithine, 2-(difluoromethyl)- cpd:C07997 0.17 No No Met_120 Orn Metabolite Yes N2-Succinyl-L-ornithine cpd:C03415 0.23 No No Met_120 Orn Metabolite Yes (+)-Bornane-2,5-dione cpd:C03037 0.25 No No Met_120 Orn Metabolite Yes D-Ornithine cpd:C00515 0.43 No No Met_120 Orn Metabolite Yes (+)-Borneol cpd:C01765 0.43 No No Met_120 Orn Metabolite Yes N'-Nitrosonornicotine cpd:C16452 0.25 No No Met_120 Orn Metabolite Yes 2-Hydroxyornithine lipid cpd:C21794 0.22 No No Met_120 Orn Metabolite Yes N-Acetylornithine cpd:C00437 0.3 No No Met_120 Orn Metabolite Yes N5-Dinitrophenyl-L-ornithine methyl ester cpd:C04541 0.14 No No Met_120 Orn Metabolite Yes (1R,2S,4R)-(+)-Bornyl acetate cpd:C11338 0.19 No No Met_120 Orn Metabolite Yes L-Bornesitol cpd:C03660 0.4 No No Met_120 Orn Metabolite Yes Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide cpd:C20160 0.06 No No Met_120 Orn Metabolite Yes Chlornitrofen cpd:C11063 0.38 No No Met_120 Orn Metabolite Yes N5-Acyl-L-ornithine cpd:C02858 0.27 No No Met_120 Orn Metabolite Yes N,N-Dimethylornithine lipid cpd:C21674 0.2 No No Met_120 Orn Metabolite Yes Cornudentanone cpd:C10320 0.35 No No Met_120 Orn Metabolite Yes (-)-Bornyl diphosphate cpd:C20664 0.24 No No Met_120 Orn Metabolite Yes N5-(L-1-Carboxyethyl)-L-ornithine cpd:C04210 0.17 No No Met_121 Phe Metabolite Yes 4-Dimethylamino-L-phenylalanine cpd:C18619 0.18 No No Met_121 Phe Metabolite Yes 4-[4-(Dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1 cpd:C11615 0.09 No No Met_121 Phe Metabolite Yes N-Hydroxy-L-phenylalanine cpd:C19712 0.21 No No Met_121 Phe Metabolite Yes 4-[N-Methyl-4-(methylamino)-L-phenylalanine]virginiamycin S1 cpd:C11616 0.1 No No Met_121 Phe Metabolite Yes 3,4-Dihydroxy-L-phenylalanine cpd:C00355 0.19 No No Met_121 Phe Metabolite Yes 3-Hydroxy-L-phenylalanine cpd:C20807 0.21 No No Met_121 Phe Metabolite Yes N-Formyl-L-methionyl-L-leucyl-L-phenylalanine cpd:C11596 0.13 No No Met_121 Phe Metabolite Yes Formylmethionyl-leucyl-phenylalanine methyl ester cpd:C11221 0.12 No No Met_121 Phe Metabolite Yes Dihydroxy-L-phenylalanine cpd:C00355 0.21 No No Met_121 Phe Metabolite Yes N-Adenylyl-L-phenylalanine cpd:C03709 0.21 No No Met_121 Phe Metabolite Yes 2-D-Alanine-4-[4-(dimethylamino)-N-methyl-L-phenylalanine]virginiamycin S1 cpd:C11617 0.08 No No Met_121 Phe Metabolite Yes N-Acetyl-L-phenylalanine cpd:C03519 0.22 No No Met_121 Phe Metabolite Yes N,N-Dihydroxy-L-phenylalanine cpd:C19715 0.19 No No Met_121 Phe Metabolite Yes N-Acetyl-DL-phenylalanine beta-naphthyl ester cpd:C11341 0.13 No No Met_122 Pro Metabolite Yes trans-4-Hydroxy-L-proline cpd:C01157 0.21 No No Met_122 Pro Metabolite Yes Carbobenzoxyglycyl-prolyl-leucyl-glycyl-proline cpd:C03183 0.12 No No Met_122 Pro Metabolite Yes L-Proline betaine cpd:C10172 0.3 No No Met_122 Pro Metabolite Yes [Procollagen]-trans-3-hydroxy-L-proline cpd:C04397 0.14 No No Met_122 Pro Metabolite Yes 1-Nitroso-L-proline cpd:C19485 0.27 No No Met_122 Pro Metabolite Yes Procollagen L-proline cpd:C01078 0.25 No No Met_122 Pro Metabolite Yes Procollagen trans-4-hydroxy-L-proline cpd:C04398 0.15 No No Met_122 Pro Metabolite Yes [Procollagen]-L-proline cpd:C01078 0.23 No No Met_122 Pro Metabolite Yes N-[(Phenylmethoxy)carbonyl]glycyl-L-prolyl-L-leucylglycyl-L-proline cpd:C03183 0.09 No No Met_122 Pro Metabolite Yes cis-3-Hydroxy-L-proline cpd:C19706 0.23 No No Met_122 Pro Metabolite Yes cis-4-Hydroxy-L-proline cpd:C01015 0.23 No No Met_122 Pro Metabolite Yes Succinyl-L-proline cpd:C11711 0.29 No No Met_122 Pro Metabolite Yes trans-3-Hydroxy-L-proline cpd:C05147 0.21 No No Met_122 Pro Metabolite Yes Procollagen trans-3-hydroxy-L-proline cpd:C04397 0.15 No No Met_122 Pro Metabolite Yes trans-4-Hydroxy-L-proline betaine cpd:C08269 0.17 No No Met_122 Pro Metabolite Yes 5-Oxo-L-proline cpd:C01879 0.33 No No Met_122 Pro Metabolite Yes 4-Oxo-L-proline cpd:C01877 0.33 No No Met_122 Pro Metabolite Yes 4-Hydroxy-1-nitroso-L-proline cpd:C19483 0.19 No No Met_123 Putrescine Metabolite Yes N-Methylputrescine cpd:C02723 0.71 No No Met_123 Putrescine Metabolite Yes N-Acetylputrescine cpd:C02714 0.71 No No Met_123 Putrescine Metabolite Yes p-Coumaroylputrescine cpd:C18326 0.65 No No Met_123 Putrescine Metabolite Yes Feruloylputrescine cpd:C10497 0.71 No No Met_123 Putrescine Metabolite Yes gamma-L-Glutamylputrescine cpd:C15699 0.56 No No Met_123 Putrescine Metabolite Yes N-Caffeoylputrescine cpd:C03002 0.67 No No Met_123 Putrescine Metabolite Yes N-Carbamoylputrescine cpd:C00436 0.65 No No Met_124 Ser Metabolite Yes Phosphatidyl-L-serine cpd:C02737 0.25 No No Met_124 Ser Metabolite Yes O-Acetyl-L-serine cpd:C00979 0.3 No No Met_124 Ser Metabolite Yes O3-Acetyl-L-serine cpd:C00979 0.29 No No Met_124 Ser Metabolite Yes [Protein]-3-O-(beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine cpd:C04913 0.04 No No Met_124 Ser Metabolite Yes [Wnt]-L-serine cpd:C21172 0.35 No No Met_124 Ser Metabolite Yes 2,3-Bis-O-(geranylgeranyl)-sn-glycero-1-phospho-L-serine cpd:C20466 0.1 No No Met_124 Ser Metabolite Yes L-Serine O-sulfate cpd:C02703 0.29 No No Met_124 Ser Metabolite Yes [Protein]-3-O-(N-acetyl-beta-D-glucosaminyl)-L-serine cpd:C19802 0.11 No No Met_124 Ser Metabolite Yes Low-density lipoprotein O-phospho-L-serine cpd:C04565 0.13 No No Met_124 Ser Metabolite Yes [Protein]-3-O-(N-acetyl-D-glucosaminyl)-L-serine cpd:C19802 0.12 No No Met_124 Ser Metabolite Yes [Protein]-L-serine cpd:C06395 0.29 No No Met_124 Ser Metabolite Yes [Protein]-3-O-(alpha-D-GlcNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine cpd:C15656 0.05 No No Met_124 Ser Metabolite Yes N-(2,3-Dihydroxybenzoyl)-L-serine cpd:C04204 0.17 No No Met_124 Ser Metabolite Yes Protein L-serine cpd:C02189 0.32 No No Met_124 Ser Metabolite Yes [Protein]-3-O-(beta-D-GlcA-(1->3)-beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine cpd:C04800 0.05 No No Met_124 Ser Metabolite Yes 2,3-Dihydroxy-N-benzoyl-L-serine cpd:C04204 0.17 No No Met_124 Ser Metabolite Yes [Protein]-3-O-(beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine cpd:C04825 0.07 No No Met_124 Ser Metabolite Yes 3-O-sn-Phosphatidyl-L-serine cpd:C02737 0.19 No No Met_124 Ser Metabolite Yes O3-Phosphatidyl-L-serine cpd:C02737 0.22 No No Met_124 Ser Metabolite Yes 2,3-Bis-(O-phytanyl)-sn-glycero-1-phospho-L-serine cpd:C20628 0.11 No No Met_124 Ser Metabolite Yes O-Ureido-L-serine cpd:C20639 0.3 No No Met_124 Ser Metabolite Yes O-Carbamoyl-L-serine cpd:C03015 0.26 No No Met_124 Ser Metabolite Yes O-Phospho-L-serine cpd:C01005 0.29 No No Met_124 Ser Metabolite Yes Low-density lipoprotein L-serine cpd:C04128 0.17 No No Met_124 Ser Metabolite Yes [Protein]-3-O-(beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine cpd:C04903 0.06 No No Met_124 Ser Metabolite Yes Peptide beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl-L-serine cpd:C04776 0.08 No No Met_124 Ser Metabolite Yes L-Serine-phosphoethanolamine cpd:C03872 0.19 No No Met_124 Ser Metabolite Yes [Wnt]-O-(9Z)-hexadec-9-enoyl-L-serine cpd:C21171 0.15 No No Met_124 Ser Metabolite Yes Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester cpd:C05821 0.13 No No Met_124 Ser Metabolite Yes Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester cpd:C05821 0.13 No No Met_124 Ser Metabolite Yes 1,2-Diacyl-sn-glycerol 3-phospho-L-serine cpd:C02737 0.14 No No Met_125 Serotonin Metabolite Yes N-Acetylserotonin cpd:C00978 0.69 No No Met_125 Serotonin Metabolite Yes N,N,N-Trimethylserotonin cpd:C13664 0.55 No No Met_125 Serotonin Metabolite Yes N-Methylserotonin cpd:C06212 0.69 No No Met_125 Serotonin Metabolite Yes N,N-Dimethylserotonin cpd:C08299 0.6 No No Met_126 Spermidine Metabolite Yes N1,N10-Disinapoyl spermidine cpd:C21170 0.53 No No Met_126 Spermidine Metabolite Yes N1-Acetylspermidine cpd:C00612 0.69 No No Met_126 Spermidine Metabolite Yes N1,N5,N10-Tricaffeoyl spermidine cpd:C18070 0.48 No No Met_126 Spermidine Metabolite Yes N1,N5,N10-Tri(hydroxyferuloyl) spermidine cpd:C18072 0.39 No No Met_126 Spermidine Metabolite Yes N1,N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine cpd:C18073 0.34 No No Met_126 Spermidine Metabolite Yes Dehydrospermidine cpd:C15853 0.74 No No Met_126 Spermidine Metabolite Yes Atherospermidine cpd:C09347 0.77 No No Met_126 Spermidine Metabolite Yes Glutathionylspermidine cpd:C05730 0.63 No No Met_126 Spermidine Metabolite Yes Homospermidine cpd:C06366 0.83 No No Met_126 Spermidine Metabolite Yes N4-Bis(aminopropyl)spermidine cpd:C21010 0.51 No No Met_126 Spermidine Metabolite Yes Norspermidine cpd:C03375 0.87 No No Met_126 Spermidine Metabolite Yes N1,N8-Bis(glutathionyl)spermidine cpd:C02090 0.47 No No Met_126 Spermidine Metabolite Yes N1,N8-Bis(sinapoyl)spermidine cpd:C21170 0.51 No No Met_126 Spermidine Metabolite Yes N1,N5,N10-Tricoumaroyl spermidine cpd:C18069 0.47 No No Met_126 Spermidine Metabolite Yes N8-Acetylspermidine cpd:C01029 0.69 No No Met_126 Spermidine Metabolite Yes N1,N10-Dicoumaroyl spermidine cpd:C21169 0.51 No No Met_126 Spermidine Metabolite Yes N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine cpd:C05730 0.33 No No Met_126 Spermidine Metabolite Yes Carboxyspermidine cpd:C18172 0.74 No No Met_126 Spermidine Metabolite Yes N1,N8-Bis(4-coumaroyl)spermidine cpd:C21169 0.48 No No Met_126 Spermidine Metabolite Yes N1,N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine cpd:C02090 0.3 No No Met_126 Spermidine Metabolite Yes N1,N5,N10-Triferuloyl spermidine cpd:C18071 0.48 No No Met_126 Spermidine Metabolite Yes Carboxynorspermidine cpd:C18174 0.67 No No Met_126 Spermidine Metabolite Yes sym-Homospermidine cpd:C06366 0.71 No No Met_126 Spermidine Metabolite Yes N4-Aminopropylspermidine cpd:C21009 0.59 No No Met_127 Spermine Metabolite Yes Aspidospermine cpd:C09042 0.73 No No Met_127 Spermine Metabolite Yes Glutathionylspermine cpd:C16562 0.57 No No Met_127 Spermine Metabolite Yes N1,N12-Diacetylspermine cpd:C03413 0.52 No No Met_127 Spermine Metabolite Yes 1-Naphthylacetylspermine cpd:C13674 0.5 No No Met_127 Spermine Metabolite Yes Bis(glutathionyl)spermine disulfide cpd:C16564 0.37 No No Met_127 Spermine Metabolite Yes N1-Acetylspermine cpd:C02567 0.64 No No Met_127 Spermine Metabolite Yes Bis(glutathionyl)spermine cpd:C16563 0.48 No No Met_127 Spermine Metabolite Yes Geissospermine cpd:C09200 0.73 No No Met_127 Spermine Metabolite Yes Bulbispermine cpd:C12164 0.76 No No Met_127 Spermine Metabolite Yes Castanospermine cpd:C02256 0.7 No No Met_127 Spermine Metabolite Yes Norspermine cpd:C21004 0.84 No No Met_127 Spermine Metabolite Yes Thermospermine cpd:C19669 0.73 No No Met_127 Spermine Metabolite Yes N1,N12-Bis(glutathionyl)spermine cpd:C16563 0.4 No No Met_128 Taurine Metabolite Yes 5-Glutamyl-taurine cpd:C05844 0.56 No No Met_128 Taurine Metabolite Yes 3alpha-Sulfatolithocholyltaurine cpd:C03642 0.36 No No Met_128 Taurine Metabolite Yes 5-L-Glutamyl-taurine cpd:C05844 0.52 No No Met_128 Taurine Metabolite Yes N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine cpd:C15516 0.2 No No Met_128 Taurine Metabolite Yes Cholyltaurine cpd:C05122 0.7 No No Met_128 Taurine Metabolite Yes Hypotaurine cpd:C00519 0.78 No No Met_128 Taurine Metabolite Yes Glutaurine cpd:C05844 0.82 No No Met_128 Taurine Metabolite Yes N2-(D-1-Carboxyethyl)taurine cpd:C01616 0.4 No No Met_128 Taurine Metabolite Yes Chenodeoxycholoyltaurine cpd:C05465 0.45 No No Met_129 Thyr Metabolite Yes 3,3',5'-Triiodo-L-thyronine cpd:C07639 0.26 No No Met_129 Thyr Metabolite Yes [Thyroglobulin]-3-iodo-L-tyrosine cpd:C16732 0.22 No No Met_129 Thyr Metabolite Yes Thyroid stimulating hormone cpd:C18182 0.26 No No Met_129 Thyr Metabolite Yes [Thyroglobulin]-L-tyrosine cpd:C16733 0.27 No No Met_129 Thyr Metabolite Yes 3,5,3'-Triiodothyropyruvate cpd:C03832 0.26 No No Met_129 Thyr Metabolite Yes Methyridine cpd:C18396 0.53 No No Met_129 Thyr Metabolite Yes L-Lathyrine cpd:C08290 0.53 No No Met_129 Thyr Metabolite Yes [Thyroglobulin]-L-thyroxine cpd:C16729 0.26 No No Met_129 Thyr Metabolite Yes Levothyroxin cpd:C01829 0.5 No No Met_129 Thyr Metabolite Yes 3,5,3'5'-Tetraiodo-L-thyronine cpd:C01829 0.24 No No Met_129 Thyr Metabolite Yes Thyroliberin cpd:C03958 0.5 No No Met_129 Thyr Metabolite Yes Thyroxine cpd:C01829 0.62 No No Met_129 Thyr Metabolite Yes Parathyroid hormone-related peptide (1-36) cpd:C16052 0.17 No No Met_129 Thyr Metabolite Yes Isoathyriol cpd:C10069 0.53 No No Met_129 Thyr Metabolite Yes Thyroglobulin triiodothyronine cpd:C16730 0.24 No No Met_129 Thyr Metabolite Yes Lathyrol cpd:C09125 0.67 No No Met_129 Thyr Metabolite Yes [Thyroglobulin]-aminoacrylate cpd:C16734 0.24 No No Met_129 Thyr Metabolite Yes Parathyroid hormone cpd:C16051 0.35 No No Met_129 Thyr Metabolite Yes 3,3',5'-Triiodothyronine cpd:C07639 0.29 No No Met_129 Thyr Metabolite Yes Thyrotropin-releasing hormone cpd:C03958 0.24 No No Met_129 Thyr Metabolite Yes [Thyroglobulin]-3,5,3'5'-tetraiodo-L-thyronine cpd:C16729 0.16 No No Met_129 Thyr Metabolite Yes 3,3',5-Triiodo-L-thyronine cpd:C02465 0.27 No No Met_129 Thyr Metabolite Yes L-3,5,3'-Triiodothyronine cpd:C02465 0.28 No No Met_129 Thyr Metabolite Yes [Thyroglobulin]-3,5-diiodo-L-tyrosine cpd:C16731 0.2 No No Met_129 Thyr Metabolite Yes Thyreotrophic hormone cpd:C18182 0.32 No No Met_129 Thyr Metabolite Yes 3,5,3'-Triiodo-L-thyronine cpd:C02465 0.27 No No Met_129 Thyr Metabolite Yes Norathyriol-6-O-beta-D-glucoside cpd:C10095 0.22 No No Met_129 Thyr Metabolite Yes Lathyrine cpd:C08290 0.62 No No Met_129 Thyr Metabolite Yes Levothyroxine sodium anhydrous cpd:C08212 0.24 No No Met_129 Thyr Metabolite Yes 3,5,3'-Triiodothyronine cpd:C02465 0.3 No No Met_129 Thyr Metabolite Yes L-Thyroxine cpd:C01829 0.53 No No Met_129 Thyr Metabolite Yes Liothyronine cpd:C02465 0.5 No No Met_129 Thyr Metabolite Yes [Thyroglobulin]-3,5,3'-triiodo-L-thyronine cpd:C16730 0.17 No No Met_129 Thyr Metabolite Yes 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one cpd:C09098 0.17 No No Met_129 Thyr Metabolite Yes Triiodothyronine cpd:C02465 0.4 No No Met_129 Thyr Metabolite Yes Reverse triiodothyronine cpd:C07639 0.29 No No Met_129 Thyr Metabolite Yes Thyroglobulin dehydroalanine cpd:C16734 0.25 No No Met_129 Thyr Metabolite Yes Athyriol cpd:C10052 0.67 No No Met_129 Thyr Metabolite Yes Norathyriol cpd:C10086 0.53 No No Met_129 Thyr Metabolite Yes Thyrotrophin cpd:C18182 0.5 No No Met_130 Tyr Metabolite Yes [Protein]-L-tyrosine phosphate cpd:C01167 0.18 No No Met_130 Tyr Metabolite Yes N-Hydroxy-L-tyrosine cpd:C03004 0.26 No No Met_130 Tyr Metabolite Yes 3-Hydroxy-L-tyrosine cpd:C00355 0.26 No No Met_130 Tyr Metabolite Yes 3,5-Dichloro-L-tyrosine cpd:C03347 0.23 No No Met_130 Tyr Metabolite Yes [Thyroglobulin]-3-iodo-L-tyrosine cpd:C16732 0.17 No No Met_130 Tyr Metabolite Yes [Thyroglobulin]-L-tyrosine cpd:C16733 0.21 No No Met_130 Tyr Metabolite Yes L-Tyrosine methyl ester 4-sulfate cpd:C04201 0.17 No No Met_130 Tyr Metabolite Yes 2-Aza-L-tyrosine cpd:C21325 0.32 No No Met_130 Tyr Metabolite Yes [L-Glutamate:ammonia ligase (ADP-forming)]-O4-(5'-adenylyl)-L-tyrosine cpd:C01299 0.08 No No Met_130 Tyr Metabolite Yes [L-Glutamate:ammonia ligase (ADP-forming)]-L-tyrosine cpd:C01281 0.11 No No Met_130 Tyr Metabolite Yes [Thyroglobulin]-3,5-diiodo-L-tyrosine cpd:C16731 0.15 No No Met_130 Tyr Metabolite Yes 3,5-Dinitro-L-tyrosine cpd:C03225 0.24 No No Met_130 Tyr Metabolite Yes [Glutamine synthetase]-O4-(5'-adenylyl)-L-tyrosine cpd:C01299 0.11 No No Met_130 Tyr Metabolite Yes 3,5-Dibromo-L-tyrosine cpd:C03224 0.24 No No Met_130 Tyr Metabolite Yes 4-O-Dimethylallyl-L-tyrosine cpd:C20983 0.19 No No Met_130 Tyr Metabolite Yes O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine cpd:C01829 0.11 No No Met_130 Tyr Metabolite Yes 3-Iodo-L-tyrosine cpd:C02515 0.3 No No Met_130 Tyr Metabolite Yes L-Tyrosine methyl ester cpd:C03404 0.23 No No Met_130 Tyr Metabolite Yes [Glutamine synthetase]-L-tyrosine cpd:C01281 0.17 No No Met_130 Tyr Metabolite Yes N-Acetyl-L-tyrosine ethyl ester cpd:C01657 0.18 No No Met_130 Tyr Metabolite Yes 3-Methyl-L-tyrosine cpd:C20800 0.27 No No Met_130 Tyr Metabolite Yes 3-Hydroxy-5-methyl-L-tyrosine cpd:C20801 0.19 No No Met_130 Tyr Metabolite Yes 3,5-Diiodo-L-tyrosine cpd:C01060 0.25 No No Met_130 Tyr Metabolite Yes [Protein]-L-tyrosine cpd:C00585 0.26 No No Met_130 Tyr Metabolite Yes N,N-Dihydroxy-L-tyrosine cpd:C15503 0.22 No No Met_131 Val Metabolite Yes N,N-Dihydroxy-L-valine cpd:C20314 0.24 No No Met_131 Val Metabolite Yes N-Hydroxy-L-valine cpd:C20313 0.29 No No Met_131 Val Metabolite Yes 3-({[(2R,3R)-3-Carbamoyloxiran-2-yl]carbonyl}amino)-L-alanyl-L-valine cpd:C20965 0.08 No No Met_131 Val Metabolite Yes 3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-valine cpd:C20962 0.1 No No Met_131 Val Metabolite Yes N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine cpd:C20965 0.12 No No