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Return to study ST002407 main page
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,11-Undecanedicarboxylic acid
Tridecanedioic acid
ME569827
-
-
1.276
243.1599
1,3,7-Trimethyluric acid
1,3,7-Trimethyluric acid
ME569756
-
-
1.969
209.0674
1,3 Cyclohexanedione
Cyclohexane-1,3-dione
ME569589
-
-
1.587
111.0439
16-Hydroxyhexadecanoic acid
Juniperic acid
ME569898
-
-
1.222
271.2278
1,7-Dimethyluric acid
1,7-Dimethyluric acid
ME569735
-
-
4.303
195.0517
1-Hydroxy-2-naphthoic acid
1-Hydroxy-2-naphthoate
ME569712
-
-
1.432
187.049
1-Methylpseudouridine
-
ME569859
-
-
4.966
257.0778
1-Methyluric acid
1-Methyluric acid
ME569702
-
-
5.976
181.0358
2,3-Dihydroxybenzoic acid
2-Pyrocatechuic acid
ME569645
-
-
2.822
153.0185
2,6-Diaminopimelic acid
2,6-Diaminopimelic acid
ME569721
-
-
9.9
189.0873
2,6-Dihydroxybenzoic acid
2,6-Dihydroxybenzoic acid
ME569643
-
-
1.073
153.0183
2'-Deoxycytidine
Deoxycytidine
ME569784
-
-
6.005
226.0829
2-Deoxyribose
2-Deoxy-ribose
ME569619
-
-
3.688
133.0495
2-Deoxyuridine
Deoxyuridine
ME569785
-
-
3.153
227.0669
2-Hydroxy-2-methylbutyric acid
2-Hydroxy-2-methyl-butyric acid
ME569593
-
-
1.594
117.0544
2-Hydroxy-4-methylpentanoic acid
Leucinic acid
ME569615
-
-
1.857
131.0701
2-Hydroxy-5-methoxybenzoic acid
-
ME569672
-
-
1.249
167.0342
2-Hydroxyhippuric acid
Salicyluric acid
ME569732
-
-
5.688
194.0451
2-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid
ME569637
-
-
1.54
151.0391
2-Hydroxyquinoline
2-Hydroxyquinoline
ME569625
-
-
1.084
144.0443
2-Isopropylmalic acid
2-Isopropylmalic acid
ME569687
-
-
5.853
175.0604
2-Ketogluconic acid
-
ME569729
-
-
8.626
193.0345
2-(N-Morpholino)ethanesulfonic acid
2-(N-Morpholino)ethanesulfonic acid
ME569734
-
-
5.192
194.0485
2'-O-Methyluridine
2'-O-Methyluridine
ME569860
-
-
2.399
257.0778
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
2-Oxindole-3-acetate
ME569723
-
-
1.999
190.0501
2-Propylglutaric acid
2-Propylglutaric acid
ME569681
-
-
1.713
173.081
3-(3-Hydroxyphenyl)propionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME569665
-
-
1.366
165.0546
3,4-Dihydroxybenzoic acid
Protocatechuic acid
ME569641
-
-
2.385
153.0182
3,4-Dihydroxyhydrocinnamic acid
3,4-Dihydroxyhydrocinnamic acid
ME569703
-
-
1.77
181.0497
3,4-Dihydroxyphenylacetic acid
3,4-Dihydroxybenzeneacetic acid
ME569669
-
-
2.299
167.034
3,4-Dihydroxyphenylglycol
3,4-Dihydroxyphenylglycol
ME569677
-
-
2.546
169.0498
3,4-Dimethoxyphenol
-
ME569646
-
-
4.639
153.0546
3,5-Dihydroxy-4-methylbenzoic acid
-
ME569671
-
-
2.63
167.0342
3-Hydroxy-3-methylglutaric acid
3-Hydroxymethylglutaric acid
ME569657
-
-
6.854
161.0445
3-Hydroxy-4-methoxybenzoic acid
3-Hydroxy-4-methoxybenzoic acid
ME569673
-
-
1.358
167.0374
3-Hydroxyoctanoic acid
3-Hydroxyoctanoic acid
ME569655
-
-
1.305
159.1017
3-Hydroxypropanoic acid
Hydroxypropionic acid
ME569584
-
-
2.326
89.023
3-Hydroxyvaleric acid
3-Hydroxyvaleric acid
ME569594
-
-
2.105
117.0544
3-Methoxy-4-hydroxyphenylglycol sulfate
-
ME569883
-
-
2.85
263.023
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME569609
-
-
2.803
129.0546
3-Methyladipic acid
3-Methyladipic acid
ME569653
-
-
2.005
159.0653
3-Methylcatechol
-
ME569600
-
-
1.143
123.044
3-Methylhistidine
3-Methylhistidine
ME569675
-
-
9.496
168.0769
3-O-Methylgallic acid
-
ME569708
-
-
1.877
183.029
3-Phenyllactic acid
Phenyllactic acid
ME569666
-
-
2.089
165.0547
4,5,7-Trihydroxyisoflavone
Genistein
ME569895
-
-
1.306
269.0457
4-Acetylbutyric acid
5-Ketocaproic acid
ME569607
-
-
1.45
129.0545
4-Hydroxy-6-methyl-2-pyrone
-
ME569603
-
-
1.415
125.0232
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME569623
-
-
1.634
137.0233
4-Hydroxyhippuric acid
4-Hydroxyhippuric acid
ME569733
-
-
5.846
194.0452
4-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME569636
-
-
1.426
151.0391
4-Hydroxyphenyllactic acid
4-Hydroxyphenyllactic acid
ME569704
-
-
4.337
181.0497
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME569693
-
-
1.055
179.0341
4-Ketopimelic acid
-
ME569680
-
-
3.666
173.0446
4-Methyl-2-oxovaleric Acid
Ketoleucine
ME569608
-
-
2.552
129.0545
4-Methylcatechol
4-Methylcatechol
ME569599
-
-
1.284
123.0439
4-Methylumbelliferyl sulfate
4-Methylumbelliferyl sulfate
ME569856
-
-
1.049
254.9969
4-Morpholinopropanesulfonic acid
-
ME569755
-
-
4.723
208.0642
4-Pyridoxic acid
4-Pyridoxic acid
ME569706
-
-
2.837
182.045
5-Aminoimidazole-4-carboxamide
5-Aminoimidazole-4-carboxamide
ME569604
-
-
4.325
125.0456
5-Hydroxy-3-indoleacetic acid
5-Hydroxyindoleacetic acid
ME569724
-
-
1.867
190.0502
5-Hydroxyisophthalic acid
-
ME569701
-
-
1.346
181.0133
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME569771
-
-
7.465
219.077
5-Methyluridine
Ribothymidine
ME569861
-
-
4.365
257.0779
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME569616
-
-
1.421
131.0702
7-Hydroxycoumarin sulfate
-
ME569817
-
-
1.084
240.9811
9,10-Dihydroxy-12Z-octadecenoic acid
9,10-DiHOME
ME569949
-
-
1.166
313.2384
Acesulfame
Acesulfame
ME569661
-
-
1.265
161.9855
Acetaminophen sulfate
Paracetamol sulfate
ME569794
-
-
1.441
230.0123
Adenine
Adenine
ME569620
-
-
4.651
134.0459
Adipic acid
Adipic acid
ME569627
-
-
2.157
145.0494
Ala-Ala
Ala-Ala
ME569654
-
-
8.381
159.0767
Ala-Ala-Ala
Ala-Ala-Ala
ME569797
-
-
8.386
230.1145
Ala-Asn
Ala-Asn
ME569743
-
-
9.314
202.0826
Ala-Gln
Ala-Gln
ME569765
-
-
9.075
216.0986
Ala-Gly-Ala
Ala-Gly-Ala
ME569764
-
-
8.606
216.0985
Ala-Leu
Ala-Leu
ME569742
-
-
7.706
201.1237
Ala-Met
Ala-Met
ME569772
-
-
7.729
219.0804
Alanine
Alanine
ME569583
-
-
8.104
88.039
Ala-Pro
Ala-Pro
ME569710
-
-
8.12
185.0926
Ala-Ser
Ala-Ser
ME569688
-
-
9.007
175.0715
Ala-Thr
Ala-Thr
ME569720
-
-
8.712
189.0872
Ala-Trp
Ala-Trp
ME569905
-
-
7.428
274.12
Ala-Tyr
Ala-Tyr
ME569852
-
-
7.89
251.1035
Allantoin
Allantoin
ME569649
-
-
5.673
157.0356
.alpha.-L-Glu-L-Asp
Glu-Asp
ME569878
-
-
9.38
261.0727
Androsterone glucuronide
Androsterone 3-glucuronide
ME569982
-
-
6.076
465.2494
Anserine
Anserine
ME569816
-
-
9.559
239.1146
Arabitol
Arabitol
ME569638
-
-
7.101
151.0601
Arg-Glu
Arg-Glu
ME569940
-
-
9.816
302.1472
Arginine
Arginine
ME569684
-
-
9.509
173.1034
Arg-Pro
Arg-Pro
ME569896
-
-
9.527
270.1572
Asn-Ala
Asn-Ala
ME569745
-
-
8.889
202.0827
Asn-Asn
Asn-Asn
ME569836
-
-
9.573
245.089
Asn-Asp
Asn-Asp
ME569841
-
-
9.433
246.0729
Asn-Gln
Asn-Gln
ME569869
-
-
9.46
259.1047
Asn-Ile
Asn-Ile
ME569830
-
-
7.819
244.13
Asn-Met
Asn-Met
ME569882
-
-
8.167
262.0868
Asn-Pro
Asn-Pro
ME569787
-
-
8.685
228.0986
Asn-Val
Asn-Val
ME569796
-
-
8.154
230.1144
Asp-Arg
Asp-Arg
ME569928
-
-
9.87
288.1315
Aspartic acid
Aspartic acid
ME569618
-
-
9.312
132.029
Asp-Asn
Asp-Asn
ME569842
-
-
9.76
246.0731
Asp-Asp
Asp-Asp
ME569846
-
-
9.647
247.057
Asp-Gln
Asp-Gln
ME569872
-
-
9.659
260.0888
Asp-Glu
Asp-Glu
ME569879
-
-
9.52
261.0728
Asp-Gly-Asp
Asp-Gly-Asp
ME569943
-
-
9.735
304.0787
Asp-Phe
Asp-Phe
ME569915
-
-
8.186
279.0987
Asp-Pro
Asp-Pro
ME569789
-
-
9.143
229.0827
Asp-Thr
Asp-Thr
ME569808
-
-
9.572
233.0777
Asp-Trp
Asp-Trp
ME569953
-
-
8.125
318.1095
Asp-Val
Asp-Val
ME569800
-
-
8.49
231.0983
Azelaic acid
Azelaic acid
ME569713
-
-
1.429
187.0968
Benzoic acid
Benzoic acid
ME569598
-
-
1.107
121.0282
beta-Hydroxymyristic acid
3-Hydroxytetradecanoic acid
ME569829
-
-
1.258
243.1963
Caffeic acid
Caffeic acid
ME569694
-
-
1.983
179.0341
Caftaric acid
Caffeoyltartaric acid
ME569947
-
-
9.046
311.0382
Carboxyibuprofen
Carboxyibuprofen
ME569812
-
-
1.529
235.0975
Carnosine
Carnosine
ME569783
-
-
9.603
225.099
Catechol
Pyrocatechol
ME569587
-
-
1.17
109.0282
Chelidonic acid
Chelidonic acid
ME569707
-
-
8.339
182.9925
Citraconic acid
Citraconic acid
ME569606
-
-
1.687
129.0181
Citrulline
Citrulline
ME569686
-
-
8.852
174.0874
CMPF
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME569815
-
-
1.451
239.0922
Cordycepin
-
ME569851
-
-
4.887
250.0978
Cysteic Acid
Cysteic acid
ME569674
-
-
9.043
167.9965
Cystine
Cystine
ME569814
-
-
9.945
239.0163
Cytidine
Cytidine
ME569820
-
-
6.925
242.0781
Daidzein
Daidzein
ME569854
-
-
1.341
253.0505
Daidzein 4'-sulfate
-
ME569959
-
-
1.411
333.0079
Dehydroisoandrosterone sulfate
Dehydroepiandrosterone sulfate
ME569975
-
-
1.34
367.1583
delta-Hydroxylysine
5-Hydroxylysine
ME569660
-
-
9.809
161.0923
D-Glucosamine, 6-sulfate
-
ME569863
-
-
8.956
258.0288
Diethyl-phthalate
Diethyl phthalate
ME569778
-
-
1.209
221.0816
Dihydro-4,4-dimethyl-2,3-furandione
2-Dehydropantolactone
ME569605
-
-
1.695
127.0389
Disaccharide 1
beta-Gentiobiose
ME569954
-
-
7.745
323.0983
Disaccharide 10
-
ME569967
-
-
9.068
343.1245
Disaccharide 11
-
ME569962
-
-
9.25
341.1087
Disaccharide 2
-
ME569955
-
-
7.88
323.0983
Disaccharide 4
-
ME569963
-
-
8.044
341.1088
Disaccharide 5
-
ME569976
-
-
8.397
371.1195
DL-Isocitric acid lactone
-
ME569679
-
-
7.996
173.0081
Docosatetraenoic acid
Docosatetraenoic acid
ME569957
-
-
0.983
331.2642
Dodecanedioic acid
Dodecanedioic acid
ME569791
-
-
1.317
229.144
Dodecyl sulfate
Blasticidin S
ME569890
-
-
1.088
265.1478
D-Pantothenic acid
Pantothenic acid
ME569770
-
-
3.504
218.1029
Eicosatrienoic acid
Eicosatrienoic acid
ME569944
-
-
0.987
305.2485
Epicatechin
Epicatechin
ME569929
-
-
2.794
289.0718
Ethyl-beta-glucuronide
Ethyl glucuronide
ME569777
-
-
7.644
221.0664
Ethylmalonic acid
Ethylmalonic acid
ME569613
-
-
2.393
131.0338
Ethyl sulfate
-
ME569602
-
-
1.754
124.9903
Ferulic acid
trans-Ferulic acid
ME569731
-
-
1.354
193.0498
Galactinol
Galactinol
ME569966
-
-
9.747
341.109
Galacto-N-biose
-
ME569977
-
-
8.17
418.1123
Galactose
Galactose
ME569697
-
-
7.904
179.0552
Galactose (monosaccharide)
Galactose
ME569761
-
-
7.624
215.0322
gamma-Glutamylleucine
gamma-Glutamylleucine
ME569870
-
-
8.034
259.1298
Gentisinic acid
Gentisic acid
ME569642
-
-
3.151
153.0182
Gln-Asp
Gln-Asp
ME569874
-
-
9.337
260.0889
Gln-Gln
Gln-Gln
ME569901
-
-
9.361
273.1206
Gln-Glu
Gln-Glu
ME569904
-
-
9.233
274.1047
Gln-Gly
Gln-Gly
ME569744
-
-
9.139
202.0826
Gln-Leu
Gln-Leu
ME569864
-
-
7.739
258.1458
Gln-Met
Gln-Met
ME569908
-
-
8.104
276.1024
Gln-Pro
Gln-Pro
ME569821
-
-
8.643
242.1145
Gln-Ser
Gln-Ser
ME569804
-
-
9.345
232.0937
Gln-Thr
Gln-Thr
ME569843
-
-
9.079
246.1095
Gln-Val
Gln-Val
ME569832
-
-
8.106
244.1303
Glu-Asn
Glu-Asn
ME569873
-
-
9.525
260.0888
Glucose-6-phosphate
Glucose 6-phosphate
ME569868
-
-
9.946
259.0223
Glu-Gln
Glu-Gln
ME569903
-
-
9.404
274.1046
Glu-Gly-Glu
Glu-Gly-Glu
ME569958
-
-
9.346
332.1101
Glu-His
Glu-His
ME569925
-
-
9.815
283.1048
Glu-Leu
Glu-Leu
ME569871
-
-
7.887
259.1298
Glu-Lys
Glu-Lys
ME569906
-
-
9.841
274.1411
Glu-Phe
Glu-Phe
ME569930
-
-
7.899
293.1143
Glu-Pro
Glu-Pro
ME569826
-
-
8.691
243.0984
Glu-Ser
Glu-Ser
ME569807
-
-
9.421
233.0775
Glutamic acid
Glutamic acid
ME569630
-
-
8.796
146.0447
Glutamine
Glutamine
ME569628
-
-
8.623
145.0607
Glu-Thr
Glu-Thr
ME569847
-
-
9.155
247.0936
Glu-Val
Glu-Val
ME569839
-
-
8.185
245.1141
Gly-Arg
Gly-Arg
ME569798
-
-
9.77
230.1256
Gly-Asn
Gly-Asn
ME569717
-
-
9.45
188.0669
Gly-Asp
Gly-Asp
ME569719
-
-
9.266
189.051
Glyceraldehyde
Glyceraldehyde
ME569585
-
-
7.712
89.023
Gly-Glu
Gly-Glu
ME569747
-
-
9.151
203.0668
Gly-Gly
Gly-Gly
ME569614
-
-
9.018
131.045
Gly-Gly-Gly
Gly-Gly-Gly
ME569718
-
-
9.253
188.0669
Gly-His
Gly-His
ME569757
-
-
9.757
211.0831
Gly-Lys
Gly-Lys
ME569746
-
-
9.814
202.1191
Gly-Met
Gly-Met
ME569753
-
-
7.931
205.0648
Gly-Ser
Gly-Ser
ME569658
-
-
9.318
161.0557
Gly-Thr
Gly-Thr
ME569689
-
-
8.852
175.0717
Gly-Tyr
Gly-Tyr
ME569813
-
-
8.137
237.0877
Gly-Val
Gly-Val
ME569683
-
-
7.958
173.0924
Guanine
Guanine
ME569633
-
-
6.494
150.0411
Guanosine
Guanosine
ME569922
-
-
7.242
282.0844
Guanosine-3',5'-cyclic monophosphate
3',5' cyclic GMP
ME569970
-
-
8.363
344.0401
Hexadecanedioic acid
Hexadecanedioic acid
ME569926
-
-
1.211
285.2071
hexosamine monosaccharide 1
Glucosamine
ME569774
-
-
7.242
220.0824
hexosamine monosaccharide 2
Glucosamine
ME569716
-
-
8.402
188.0557
Hippuric acid
Hippuric acid
ME569691
-
-
3.055
178.05
His-Ala
His-Ala
ME569782
-
-
9.377
225.0989
His-Asn
His-Asn
ME569894
-
-
9.811
268.1053
His-Glu
His-Glu
ME569924
-
-
9.641
283.1047
His-Gly
His-Gly
ME569758
-
-
9.58
211.0831
His-Pro
His-Pro
ME569853
-
-
9.285
251.1147
His-Thr
His-Thr
ME569858
-
-
9.517
255.1098
Histidine
Histidine
ME569647
-
-
9.578
154.0613
Homogentisic acid
Homogentisic acid
ME569670
-
-
2.782
167.034
Homoserine
Homoserine
ME569595
-
-
8.403
118.0497
Homovanillic acid
Homovanillic acid
ME569705
-
-
1.458
181.05
Homovanillic acid sulfate
-
ME569877
-
-
3.116
261.0073
Hydroferulic acid
Dihydroferulic acid
ME569736
-
-
1.279
195.0655
Hypoxanthine
Hypoxanthine
ME569621
-
-
4.952
135.03
Ile-Asn
Ile-Asn
ME569831
-
-
8.261
244.1302
Ile-Asp
Ile-Asp
ME569838
-
-
8.037
245.114
Ile-Gln
Ile-Gln
ME569865
-
-
8.119
258.1461
Ile-Leu
Ile-Leu
ME569828
-
-
6.158
243.1712
Ile-Phe
Ile-Phe
ME569912
-
-
6.278
277.1556
Ile-Ser
Ile-Ser
ME569768
-
-
8.087
217.119
Ile-Trp
Ile-Trp
ME569952
-
-
6.292
316.1666
Ile-Tyr
Ile-Tyr
ME569932
-
-
7.136
293.1508
Ile-Val
Ile-Val
ME569793
-
-
6.734
229.1555
Indole-3-carboxylic acid
Indole-3-carboxylic acid
ME569656
-
-
1.36
160.0393
Indolelactic acid
Indolelactic acid
ME569752
-
-
2.377
204.0659
Indoxyl sulfate
Indoxyl sulfate
ME569759
-
-
1.344
212.0018
Inosine
Inosine
ME569891
-
-
6.3
267.0733
Isorhamnetin
Isorhamnetin
ME569950
-
-
1.274
315.0511
Ketoisovaleric acid
Ketoisovaleric acid
ME569591
-
-
3.152
115.0389
Kynurenic acid
Kynurenic acid
ME569714
-
-
6.229
188.0345
Lactose B
-
ME569961
-
-
8.944
341.1086
Leu-Asp
Leu-Asp
ME569837
-
-
7.954
245.1139
Leu-His
Leu-His
ME569893
-
-
8.732
267.1462
Leu-Lys
Leu-Lys
ME569867
-
-
9.089
258.1824
Leu-Thr
Leu-Thr
ME569802
-
-
7.716
231.1346
Leu-Tyr
Leu-Tyr
ME569931
-
-
7.045
293.1507
L-Fucitol
Fucitol
ME569667
-
-
5.401
165.076
L-.gamma.-Glutamyl-L-glutamic acid
gamma-Glutamylglutamic acid
ME569907
-
-
9.434
275.0885
L-Gulono-1,4-lactone
L-Gulonolactone
ME569690
-
-
4.211
177.0397
Linoleic acid
Linoleic acid
ME569919
-
-
0.991
279.2328
Lys-Ala
Lys-Ala
ME569766
-
-
9.66
216.135
Lys-Asp
Lys-Asp
ME569876
-
-
9.882
260.1253
Lys-Gln
Lys-Gln
ME569902
-
-
9.852
273.1571
Lysine
Lysine
ME569629
-
-
9.585
145.0971
Lys-Leu
Lys-Leu
ME569866
-
-
8.773
258.1822
lysoPC 16:1
LPC 16:1
ME569988
-
-
5.59
538.3156
lysoPC 18:1
LPC 18:1
ME569991
-
-
5.524
566.3467
lysoPC 18:2
LPC 18:2
ME569990
-
-
5.553
564.3311
lysoPE 14:0
LPE 14:0
ME569978
-
-
5.894
424.2473
lysoPE 16:0
LPE 16:0
ME569981
-
-
5.818
452.2784
lysoPE 18:1
LPE 18:1
ME569984
-
-
5.772
478.2938
lysoPE 18:2
LPE 18:2
ME569983
-
-
5.795
476.2784
Lys-Pro
Lys-Pro
ME569822
-
-
9.562
242.1507
Lys-Val
Lys-Val
ME569834
-
-
9.212
244.1663
Melatonin
Melatonin
ME569801
-
-
1.147
231.1136
Met-Asp
Met-Asp
ME569884
-
-
8.254
263.0707
Met-Glu
Met-Glu
ME569910
-
-
8.217
277.0862
Methionine
Methionine
ME569631
-
-
7.45
148.0427
Methioninesulfoxide
Methionine sulfoxide
ME569664
-
-
8.583
164.0378
Methylacetate
Methyl acetate
ME569581
-
-
4.064
73.0281
Methylgallate
-
ME569709
-
-
1.655
183.029
Methylsuccinic acid
Methylsuccinic acid
ME569612
-
-
2.805
131.0337
Met-Ile
Met-Ile
ME569881
-
-
6.409
261.1277
Met-Ser
Met-Ser
ME569810
-
-
8.249
235.0755
Met-Thr
Met-Thr
ME569850
-
-
7.909
249.0912
Met-Val
Met-Val
ME569848
-
-
7.045
247.112
Monnosaccharide
-
ME569698
-
-
6.098
179.0554
monosaccharide
-
ME569699
-
-
8.414
179.0555
N-Acetylalanine
N-Acetylalanine
ME569610
-
-
5.171
130.0499
N-Acetylaspartic acid
N-Acetylaspartic acid
ME569685
-
-
7.756
174.0399
N-Acetylaspartylglutamic acid
N-Acetyl-Asp-Glu
ME569942
-
-
8.179
303.0833
N-Acetyl-D-galactosamine 4-sulfate
N-Acetylgalactosamine 4-sulfate
ME569937
-
-
7.211
300.0396
N-Acetyl-D-galactosaminitol
N-Acetylgalactosaminitol
ME569780
-
-
7.337
222.0979
N-Acetyl-DL-valine
-
ME569650
-
-
2.561
158.0813
N-Acetylglucosamine
N-Acetylglucosamine
ME569775
-
-
7.699
220.0824
N-Acetylglucosaminylasparagine
Aspartylglycosamine
ME569960
-
-
9.606
334.1256
N-Acetylglutamic acid
N-Acetylglutamic acid
ME569715
-
-
7.763
188.0556
N-Acetylglycine
N-Acetylglycine
ME569592
-
-
7.418
116.034
N-Acetylhistidine
N-Acetylhistidine
ME569737
-
-
8.14
196.072
N-Acetyl-L-tyrosine
N-Acetyltyrosine
ME569779
-
-
4.863
222.0767
N-Acetylmannosamine
N-Acetyl-mannosamine
ME569776
-
-
7.055
220.0824
N-acetyl-methionine
N-Acetylmethionine
ME569725
-
-
3.188
190.0534
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME569946
-
-
9.399
308.0987
Naringenin
Naringenin
ME569897
-
-
1.189
271.0612
N-Cinnamoylglycine
Cinnamoylglycine
ME569751
-
-
2.8
204.0658
Neochlorogenic acid
Neochlorogenic acid
ME569971
-
-
7.587
353.0881
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME569886
-
-
1.415
263.1056
N-Isobutyrylglycine
Isobutyrylglycine
ME569626
-
-
3.694
144.0654
N-Isovalerylglycine
Isovalerylglycine
ME569651
-
-
2.812
158.0813
N-Methylvaline_Leucine_Norleucine
-
ME569611
-
-
7.04
130.0862
N-omega-Acetylhistamine
N-Acetylglutamine
ME569640
-
-
6.049
152.0819
O-Acetylsalicylic acid (aspirin)
Aspirin
ME569692
-
-
1.363
179.0341
Ornithine
Ornithine
ME569617
-
-
9.631
131.0814
Orotic acid
Orotic acid
ME569648
-
-
7.449
155.0088
P-Anisic acid
-
ME569634
-
-
1.269
151.039
Phe-Asn
Phe-Asn
ME569914
-
-
8.099
278.1245
Phe-Asp
Phe-Asp
ME569916
-
-
7.904
279.0987
Phe-Leu
Phe-Leu
ME569913
-
-
5.734
277.1556
Phe-Met
Phe-Met
ME569936
-
-
6.447
295.112
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME569885
-
-
5.996
263.1038
Phenylacetylglycine
Phenylacetylglycine
ME569728
-
-
3.009
192.0659
Phenylpyruvic acid
Phenylpyruvic acid
ME569662
-
-
1.419
163.039
Phe-Phe
Phe-Phe
ME569948
-
-
5.839
311.1403
Phe-Thr
Phe-Thr
ME569888
-
-
7.633
265.1193
Phe-Val
Phe-Val
ME569887
-
-
6.195
263.1401
Phloretin
Phloretin
ME569900
-
-
1.441
273.0769
Phloroglucinocarboxaldehyde
-
ME569644
-
-
1.372
153.0183
Phloroglucinolcarboxylic acid
-
ME569676
-
-
1.447
169.0132
Pimelic acid
Pimelic acid
ME569652
-
-
1.849
159.0652
Pro-Ala
Pro-Ala
ME569711
-
-
7.953
185.0926
Pro-Asn
Pro-Asn
ME569788
-
-
8.875
228.0989
Pro-Asp
Pro-Asp
ME569790
-
-
8.606
229.0827
Pro-Glu
Pro-Glu
ME569825
-
-
8.508
243.0983
Pro-Gly
Pro-Gly
ME569678
-
-
8.297
171.0768
Proline
Proline
ME569590
-
-
7.835
114.0549
Pro-Phe
Pro-Phe
ME569880
-
-
7.029
261.1246
Pro-Ser
Pro-Ser
ME569740
-
-
8.634
201.0876
Prostaglandin E1
PGE1
ME569972
-
-
1.43
353.2332
Pseudouridine
Pseudouridine
ME569823
-
-
7.041
243.0619
Purine
Purine
ME569597
-
-
2.437
119.0351
Pyruvic acid
Pyruvic acid
ME569582
-
-
5.353
87.0074
Quercetin
Quercetin
ME569939
-
-
1.54
301.0357
Raffinose (trisaccharide)
Raffinose
ME569985
-
-
9.589
503.1621
Resveratrol-3-O-sulfate
-
ME569945
-
-
1.434
307.0281
Ribose
Ribose
ME569632
-
-
4.682
149.0444
Salicylic acid
Salicylic acid
ME569622
-
-
1.437
137.0232
Scopoletin
Scopoletin
ME569726
-
-
1.242
191.0344
Sebacic acid
Sebacic acid
ME569741
-
-
1.4
201.1126
Secoisolariciresinol
Secoisolariciresinol
ME569974
-
-
1.177
361.1657
Ser-Asn
Ser-Asn
ME569769
-
-
9.544
218.0776
Ser-Gln
Ser-Gln
ME569803
-
-
9.428
232.0935
Ser-Glu
Ser-Glu
ME569809
-
-
9.305
233.0778
Ser-Gly
Ser-Gly
ME569659
-
-
9.196
161.056
Ser-Gly-Ser
Ser-Gly-Ser
ME569849
-
-
9.578
248.0887
Ser-His
Ser-His
ME569819
-
-
9.815
241.094
Serine
Serine
ME569586
-
-
8.695
104.034
Ser-Leu
Ser-Leu
ME569767
-
-
7.82
217.1188
Ser-Lys
Ser-Lys
ME569805
-
-
9.885
232.1301
Ser-Met
Ser-Met
ME569811
-
-
8.107
235.0755
Ser-Ser
Ser-Ser
ME569727
-
-
9.435
191.0666
Ser-Tyr
Ser-Tyr
ME569892
-
-
8.31
267.0987
Ser-Val
Ser-Val
ME569750
-
-
8.126
203.1033
Sinapic acid
Sinapic acid
ME569781
-
-
1.62
223.0607
Sinigrin
Sinigrin
ME569973
-
-
6.576
358.0272
Sorbose
Sorbose
ME569695
-
-
7.693
179.0551
S-Sulfocysteine
Cysteine-S-sulfate
ME569739
-
-
8.037
199.9686
Suberic acid
Suberic acid
ME569682
-
-
1.601
173.081
Sucralose
Sucralose
ME569980
-
-
3.072
441.0125
Sucrose (Disaccharide)
Sucrose
ME569964
-
-
8.452
341.1088
sugar acid
-
ME569730
-
-
8.89
193.0347
sugar alcohol 1
Sorbitol
ME569663
-
-
4.581
163.0602
sugar alcohol 3
Sorbitol
ME569968
-
-
8.764
343.1245
sugar alcohol 4
Sorbitol
ME569969
-
-
8.86
343.1245
Sulfoacetic acid
Sulfoacetic acid
ME569624
-
-
8.304
138.9695
Syringic acid
Syringic acid
ME569738
-
-
1.401
197.0448
Tagatose (Monosaccharide)
D-Tagatose
ME569696
-
-
7.823
179.0551
Taurine
Taurine
ME569601
-
-
7.804
124.0061
Tenofovir
-
ME569927
-
-
9.602
286.0711
Tetradecanedioic acid
Tetradecanedioic acid
ME569862
-
-
1.265
257.1757
Tetrasaccharide 2
-
ME569992
-
-
9.928
665.2151
Theophylline
Theophylline
ME569700
-
-
1.575
179.0566
Thr-Ala
Thr-Ala
ME569722
-
-
8.515
189.0875
Thr-Asp
Thr-Asp
ME569806
-
-
9.148
233.0774
Threonine
Threonine
ME569596
-
-
8.305
118.0498
Thr-Gln
Thr-Gln
ME569844
-
-
9.199
246.1095
Thr-Gly-Thr
Thr-Gly-Thr
ME569909
-
-
9.08
276.1201
Thr-His
Thr-His
ME569857
-
-
9.657
255.1097
Thr-Lys
Thr-Lys
ME569845
-
-
9.749
246.1458
Thr-Phe
Thr-Phe
ME569889
-
-
7.497
265.1193
Thr-Ser
Thr-Ser
ME569754
-
-
9.157
205.0825
Thr-Thr
Thr-Thr
ME569773
-
-
8.849
219.0984
Thr-Tyr
Thr-Tyr
ME569920
-
-
7.998
281.1142
Thr-Val-Leu
Thr-Val-Leu
ME569956
-
-
7.13
330.2037
Thymidine
Thymidine
ME569818
-
-
2.692
241.0829
trans-Traumatic acid
Traumatic acid
ME569786
-
-
1.376
227.1284
Trisaccharide
-
ME569986
-
-
9.204
503.1623
Trisaccharide 1
-
ME569965
-
-
8.124
341.1088
Trisaccharide 2
-
ME569989
-
-
9.233
539.1387
Trisaccharide 4
-
ME569987
-
-
9.703
503.1625
Trp-Gly
Trp-Gly
ME569875
-
-
7.541
260.1043
Trp-Leu
Trp-Leu
ME569951
-
-
6.09
316.1665
Trp-Pro
Trp-Pro
ME569938
-
-
6.876
300.1352
Trp-Val
Trp-Val
ME569941
-
-
6.505
302.151
Tryptophan
Tryptophan
ME569748
-
-
6.866
203.0822
Tyr-Asn
Tyr-Asn
ME569934
-
-
8.652
294.1097
Tyr-Asp
Tyr-Asp
ME569935
-
-
8.394
295.0935
Tyr-Ile
Tyr-Ile
ME569933
-
-
6.808
293.1508
Tyr-Pro
Tyr-Pro
ME569911
-
-
7.481
277.1193
Tyr-Thr
Tyr-Thr
ME569921
-
-
8.117
281.1142
Tyr-Val
Tyr-Val
ME569918
-
-
7.322
279.1349
Undecanedioic acid
Undecanedioic acid
ME569762
-
-
1.356
215.1284
Uracil
Uracil
ME569588
-
-
2.439
111.0187
Uric acid
Uric acid
ME569668
-
-
7.803
167.0201
Uridine
Uridine
ME569824
-
-
4.954
243.0619
Val-Asn
Val-Asn
ME569795
-
-
8.611
230.1143
Val-Asp
Val-Asp
ME569799
-
-
8.377
231.0982
Val-Gln
Val-Gln
ME569833
-
-
8.454
244.1304
Val-Glu
Val-Glu
ME569840
-
-
8.328
245.1143
Val-Gly-Val
Val-Gly-Val
ME569899
-
-
7.562
272.1617
Val-His
Val-His
ME569855
-
-
9.196
253.1305
Val-Leu
Val-Leu
ME569792
-
-
6.826
229.1554
Val-Lys
Val-Lys
ME569835
-
-
9.377
244.1666
Val-Pro
Val-Pro
ME569760
-
-
7.638
213.124
Val-Ser
Val-Ser
ME569749
-
-
8.396
203.103
Val-Tyr
Val-Tyr
ME569917
-
-
7.559
279.1348
Val-Val
Val-Val
ME569763
-
-
7.441
215.1395
Vanillin
Vanillin
ME569635
-
-
1.053
151.039
Verbascose
Verbascose
ME569993
-
-
10.243
827.2689
Vitexin
Vitexin
ME569979
-
-
5.482
431.0982
Xanthosine
Xanthosine
ME569923
-
-
7.435
283.0782
Xylitol
Xylitol
ME569639
-
-
6.876
151.0601
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