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Return to study ST002082 main page
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-hydroxy capric acid
10-Hydroxydecanoic acid
ME482895
-
C02774
9.19
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME482917
-
C08317
10.41
-
1-Methyladenosine
1-Methyladenosine
ME482905
-
C02494
4.41
-
2',3'-Cyclic CMP
2',3' cyclic CMP
ME483129
-
C02354
1.44
-
2',4'-Dihydroxyacetophenone
2',4'-Dihydroxyacetophenone
ME483113
-
C03663
3.26
-
D-MANNOSAMINE
2-Amino-2-deoxy-D-mannose
ME483044
-
-
1.22
-
2-Deoxyglucose
2-Deoxy-glucose
ME483028
-
-
1.56
-
2-hydroxy-butanoic acid
2-Hydroxybutyric acid
ME482973
-
C05984
3.09
-
2-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid
ME483115
-
C05852
6.1
-
Oxoglutaric acid
2-Oxoglutaric acid
ME483000
-
C00026
1.59
-
DL-a-Hydroxybutyric acid
2R-Hydroxybutyric acid
ME482972
-
C05984
3.09
-
L-Norvaline
2S-Aminopentanoic acid
ME482985
-
-
1.65
-
3-(2-Hydroxyphenyl)propionic acid
3-(2-Hydroxyphenyl)propanoic acid
ME483121
-
C01198
7.23
-
Dihydroxyphenylacetic acid
3,4-Dihydroxybenzeneacetic acid
ME483116
-
C01161
4.42
-
DL-3,4-Dihydroxymandelic acid
3,4-Dihydroxymandelic acid
ME483117
-
C05580
1.99
-
cAMP
3',5' cyclic AMP
ME482885
-
C00575
3.52
-
cGMP
3',5' cyclic GMP
ME482886
-
C00942
3.48
-
3-Amino-4-hydroxybenzoic acid
3-Amino-4-hydroxybenzoic acid
ME483092
-
C12115
2.33
-
AHBA
3-Amino-5-hydroxybenzoic acid
ME483090
-
C12107
2.33
-
3-Dehydroshikimic acid
3-Dehydroshikimate
ME483096
-
C02637
1.9
-
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME483091
-
C00632
4.68
-
3-Hydroxybenzaldehyde
3-Hydroxybenzaldehyde
ME483078
-
C03067
5.95
-
m-Salicylic acid
3-Hydroxybenzoic acid
ME483082
-
C00587
5.78
-
3-Hydroxybenzyl alcohol
3-Hydroxybenzyl alcohol
ME483094
-
C03351
4.59
-
3-hydroxy-3-methyl-Glutaric acid
3-Hydroxymethylglutaric acid
ME483019
-
C03761
2.74
-
3-Hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid
ME483114
-
C05593
5.5
-
3-mercaptopyruvate
3-Mercaptopyruvic acid
ME482943
-
C00957
1.96
-
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME483014
-
C00671
5.16
-
3-Sulfino-L-alanine
3-Sulfino-alanine
ME482951
-
C00606
1.42
-
(S)-Dihydroorotate
4,5-Dihydroorotic acid
ME482998
-
C00337
1.7
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME483024
-
C02946
3.1
-
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME482983
-
C01035
1.59
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME483080
-
C00633
5.95
-
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME483084
-
-
5.01
-
p-Salicylic acid
4-Hydroxybenzoic acid
ME483081
-
C00156
5.37
-
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME483112
-
C00642
5.16
-
4-Hydroxyphenyllactic acid
4-Hydroxyphenyllactic acid
ME483123
-
-
4.82
-
4-Methylcatechol
4-Methylcatechol
ME483095
-
C06730
6.49
-
4-Pyridoxic acid
4-Pyridoxic acid
ME483119
-
C00847
3.23
-
5(d)-Aminolevulinic Acid
5-Amino-levulinic acid
ME483006
-
C00430
1.28
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME482898
-
C05635
5.06
-
Hydroxylysine
5-Hydroxylysine
ME483050
-
C01211
1.13
-
5-Hydroxymethyluracil
5-Hydroxymethyluracil
ME482997
-
C03088
1.89
-
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME482901
-
C00643
2.97
-
5'-Deoxy-5'-(methylthio)adenosine
5'-Methylthioadenosine
ME482904
-
C00170
5.33
-
Acetoacetic acid
Acetoacetic acid
ME482961
-
C00164
2.32
-
Adenosine
Adenosine
ME482887
-
C00212
3.19
-
Allantoin
Allantoin
ME482960
-
C01551
1.36
-
Allose
Allose
ME483035
-
C01487
1.36
-
Allotetrahydrocortisol
Allotetrahydrocortisol
ME482931
-
-
9.09
-
Allothreonine
Allothreonine
ME482977
-
C05519
1.3
-
L-2-Aminoadipic acid
Aminoadipic acid
ME483025
-
C00956
1.38
-
Adenosine5'-monophosphate
AMP
ME482892
-
C00020
1.8
-
L-Anserine
Anserine
ME482894
-
C01262
1.24
-
Arabinose
Arabinose
ME482982
-
-
1.32
-
D-(-)-Arabinose
Arabinose
ME482979
-
C00216
1.45
-
L-Arginine
Arginine
ME483051
-
C00062
1.22
-
L-Asparagine
Asparagine
ME482970
-
C00152
1.26
-
L-Aspartic Acid
Aspartic acid
ME482968
-
C00049
1.27
-
Methyl N-(a-methylbutyryl)glycine
Azelaic acid
ME483135
-
C08261
8.21
-
Benzoic acid
Benzoic acid
ME483079
-
C00180
7.73
-
ß-Alanine
beta-Alanine
ME482949
-
C00099
1.27
-
D-Biotin
Biotin
ME482893
-
C00120
6
-
Caffeic Acid
Caffeic acid
ME483137
-
C01481
6.18
-
Carnitine
Carnitine
ME483076
-
C00318
1.28
-
Carnosine
Carnosine
ME483134
-
C00386
1.23
-
Cytidine diphosphate choline (CDPcholine)
CDP-choline
ME482920
-
C00307
1.41
-
D-(+)-Cellobiose
Cellobiose
ME482916
-
-
1.42
-
Cholic acid
Cholic acid
ME482934
-
C00695
11.71
-
2-Aminoethylphosphonic acid
Ciliatine
ME482940
-
C03557
1.35
-
cis-4-Hydroxy-D-proline
cis-4-Hydroxy-D-proline
ME483007
-
C03440
1.28
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME483009
-
C01015
1.57
-
Citramalic acid
Citramalic acid
ME483004
-
C00815
2.32
-
Citric acid
Citric acid
ME483064
-
C00158
1.76
-
Citrulline
Citrulline
ME483040
-
C00327
1.3
-
Cortisol
Cortisol
ME482930
-
C00735
9.33
-
Cortisol 21-acetate
Cortisol 21-acetate
ME482933
-
C02821
10.06
-
Creatinine
Creatinine
ME482966
-
C00791
1.3
-
L-Cystathionine
Cystathionine
ME483074
-
C02291
1.29
-
Cysteic acid
Cysteic acid
ME482952
-
C00506
1.33
-
L-Cystine
Cystine
ME483027
-
C00491
1.24
-
Cytidine
Cytidine
ME483133
-
C00475
1.48
-
Deoxyadenosine monophosphate
dAMP
ME482891
-
C00360
2.27
-
D-Aspartic acid
D-Aspartic acid
ME482969
-
C00402
1.4
-
Deoxycytidine
Deoxycytidine
ME483132
-
C00881
1.55
-
6-Deoxy-L-galactose
D-Fucose
ME483029
-
C01019
1.56
-
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahex...
DHA
ME482932
-
C06429
13.37
-
Diaminopimelic acid
Diaminopimelic acid
ME483073
-
C00666
1.24
-
Dihydrofolic acid
Dihydrofolic acid
ME482928
-
C00415
5.42
-
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME482953
-
C00111
1.45
-
5,6-Dimethylbenzimidazole
Dimethylbenzimidazole
ME483120
-
C03114
5.86
-
D-(+)-Malic acid
D-Malic acid
ME482963
-
C00497
1.56
-
D-Ornithine
D-Ornithine
ME482986
-
C00515
1.13
-
D-Tagatose
D-Tagatose
ME483036
-
C00795
1.36
-
D-Tryptophan
D-Tryptophan
ME482900
-
C00525
4.59
-
Erythritol
Erythritol
ME482957
-
C00503
1.36
-
Ethylmalonic acid
Ethylmalonic acid
ME483003
-
-
3.89
-
Flavin adenine dinucleotide (FAD)
FAD
ME482937
-
C00016
6.1
-
Folic acid
Folic acid
ME482927
-
C00504
5.4
-
Fumaric acid
Fumaric acid
ME482959
-
C00122
1.99
-
Galactaric acid
Galactaric acid
ME483023
-
C00879
1.31
-
Dulcitol
Galactitol
ME483053
-
C01697
1.35
-
D-Galactosamine
Galactosamine
ME483046
-
C02262
1.22
-
D-Galactose
Galactose
ME483037
-
C00124
1.36
-
D-(+)-GALACTURONIC ACID
Galacturonic acid
ME483022
-
-
1.29
-
Aminobutryic acid
gamma-Aminobutyric acid
ME482974
-
C00334
1.27
-
2,5-Dihydroxybenzaldehyde
Gentisate aldehyde
ME483086
-
C05585
5.25
-
Gentisic acid
Gentisic acid
ME483088
-
C00628
4.67
-
Gluconic acid
Gluconic acid
ME483039
-
C00257
1.32
-
Glucosamine
Glucosamine
ME483045
-
C00329
1.22
-
D-Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME483052
-
C00352
1.24
-
Glucosaminic acid
Glucosaminic acid
ME483047
-
C03752
1.32
-
a-D-Glucose
Glucose
ME483034
-
C00267
1.36
-
D-Glucose 6-phosphate
Glucose 6-phosphate
ME483048
-
C00092
1.27
-
D-Glucuronic acid
Glucuronic acid
ME483021
-
C00191
1.29
-
Glucuronolactone
Glucuronolactone
ME483062
-
C02670
1.56
-
Glutamine
Glutamine
ME482978
-
C00064
1.27
-
Glyceric acid
Glyceric acid
ME482947
-
C00258
2.29
-
Glycocholic Acid
Glycocholic acid
ME482936
-
C01921
11.09
-
Glyoxylic acid
Glyoxylic acid
ME482938
-
C00048
1.36
-
Guanidinosuccinic Acid
Guanidinosuccinic acid
ME483005
-
C03139
1.33
-
Guanosine
Guanosine
ME482888
-
C00387
3.02
-
Hippuric acid
Hippuric acid
ME483138
-
C01586
5.57
-
L-Histidine
Histidine
ME483065
-
C00135
1.22
-
Homocystine
Homocystine
ME483108
-
C01817
1.39
-
DL-Homoserine
Homoserine
ME482975
-
C00263
1.3
-
Homovanillic acid
Homovanillic acid
ME483122
-
C05582
5.98
-
3-Hydroxy-DL-kynurenine
Hydroxykynurenine
ME482882
-
C02794
2.19
-
Hypoxanthine
Hypoxanthine
ME482992
-
C00262
2.11
-
Imidazoleacetic acid
Imidazoleacetic acid
ME482996
-
C02835
1.3
-
3-Indoleacetic Acid
Indoleacetic acid
ME482897
-
C00954
7.38
-
Indoxylsulfuric acid
Indoxyl sulfate
ME483109
-
-
5.05
-
Inosine
Inosine
ME482883
-
C00294
2.95
-
Isocitrate
Isocitric acid
ME483063
-
C00311
1.53
-
L-Isoleucine
Isoleucine
ME483041
-
C00407
2.49
-
Itaconic acid
Itaconic acid
ME482999
-
C00490
3.35
-
4-Methyl-2-oxovaleric acid
Ketoleucine
ME483015
-
C00233
5.49
-
Ketoleucine
Ketoleucine
ME483016
-
C00233
5.18
-
Kynurenic acid
Kynurenic acid
ME482896
-
C01717
5.29
-
Kynurenine
Kynurenine
ME482881
-
C00328
3.51
-
Lactose
Lactose
ME482911
-
C00243
1.42
-
L-(-)-Arabitol
L-Arabitol
ME482990
-
C03291
1.35
-
Dehydroascorbic acid
L-Dehydroascorbic acid
ME483059
-
C00425
1.59
-
L-Leucine
Leucine
ME483042
-
C00123
2.68
-
Gulonolactone
L-Gulonolactone
ME483020
-
C01040
1.42
-
L-Lysine
Lysine
ME483049
-
C00047
1.14
-
D-(-)-Lyxose
Lyxose
ME482980
-
C00476
1.32
-
Maleic acid
Maleic acid
ME482958
-
C01384
1.99
-
Malic acid
Malic acid
ME482964
-
C03668
1.56
-
Malonic acid
Malonic acid
ME482944
-
C00383
1.58
-
Maltose
Maltose
ME482914
-
C00208
1.42
-
D-Mannitol
Mannitol
ME483054
-
C00392
1.35
-
D-(+)-Mannose
Mannose
ME483033
-
C00159
1.36
-
Melibiose
Melibiose
ME482913
-
C05402
1.42
-
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME483075
-
-
1.63
-
3-Methylglutaric acid
Methylglutaric acid
ME483017
-
-
4.73
-
Methyl vanillate
Methyl vanillate
ME483124
-
-
7.85
-
mono-Ethyl malonate
Monoethyl malonic acid
ME483002
-
-
4.48
-
Monomethyl glutaric acid
Monomethyl glutaric acid
ME483018
-
-
5.48
-
myo-Inositol
Myo-inositol
ME483032
-
C00137
1.36
-
Acetyllysine
N(2)-Acetyllysine
ME483107
-
C12989
1.43
-
N-Acetyl-L-alanine
N-Acetylalanine
ME483008
-
C00624
2.54
-
N-ALPHA-ACETYL-L-ASPARAGINE
N-Acetylasparagine
ME483013
-
-
1.57
-
N-acetylaspartate
N-Acetylaspartic acid
ME483066
-
C01042
1.8
-
Acetyl-L-Cysteine
N-Acetylcysteine
ME483010
-
C06809
2.95
-
Aceturic acid
N-Acetylglycine
ME482967
-
-
1.73
-
a-N-Acetylglucosamine
N-Acetylhexosamine
ME483106
-
C02711
1.44
-
Acetyl-L-Leucine
N-Acetylleucine
ME483104
-
-
6.71
-
N-Acetyl-L-glutamic acid
N-Acetyl-mannosamine
ME483069
-
C00624
2.19
-
N-Acetyl-ß-D-mannosamine
N-Acetyl-mannosamine
ME483105
-
-
1.43
-
N-Acetyl-DL-methionine
N-Acetylmethionine
ME483072
-
-
5.06
-
N-Acetylneuraminic Acid
N-Acetylneuraminic acid
ME482906
-
C00270
1.39
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME482902
-
-
6.97
-
N-Acetyl-DL-serine
N-Acetylserine
ME483011
-
-
1.62
-
N-Acetylserotonin
N-Acetylserotonin
ME482908
-
C00978
5.32
-
N-Acetyl-DL-tryptophan
N-Acetyl-tryptophan
ME482918
-
-
6.97
-
Nicotinamide adenine dinucleotide (NAD)
NAD
ME482929
-
C00003
1.8
-
N-FORMYLGLYCINE
N-Formylglycine
ME482945
-
-
1.45
-
Niacin (Nicotinic acid)
Nicotinic acid
ME483056
-
C00253
2.17
-
N-Methyl-L-glutamate
N-Methyl-glutamic acid
ME483026
-
C01046
1.38
-
L-Norleucine
Norleucine
ME483043
-
C01933
2.68
-
L-Ornithine
Ornithine
ME482987
-
C00077
1.13
-
Orotic acid
Orotic acid
ME482991
-
C00295
1.8
-
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME483102
-
C01118
1.61
-
Oxoadipic acid
Oxoadipic acid
ME483061
-
C00322
2.11
-
Palatinose
Palatinose
ME482915
-
C01742
1.42
-
cis-9-palmitoleic acid
Palmitoleic acid
ME482923
-
C08362
13.32
-
Pantothenic Acid
Pantothenic acid
ME483136
-
C00864
4.38
-
Phenyl acetate
Phenyl acetate
ME483110
-
C00548
4.82
-
Phenylacetic acid
Phenylacetic acid
ME483111
-
C07086
4.11
-
L-Phenylalanine
Phenylalanine
ME483126
-
C00079
3.85
-
phosphoenol pyruvate
Phosphoenolpyruvic acid
ME482946
-
C00074
1.39
-
O-Phosphorylethanolamine
Phosphoethanolamine
ME482941
-
C00346
1.25
-
Pimelic acid
Pimelic acid
ME483070
-
C02656
5.96
-
3,4-Dihydroxybenzoic acid
Protocatechuic acid
ME483087
-
C00230
4.37
-
D-PSICOSE
Psicose
ME483038
-
-
1.48
-
Pyridoxal (Vitamin B6)
Pyridoxal
ME483118
-
C00250
1.87
-
Pyridoxal Phosphate
Pyridoxal 5'-phosphate
ME483097
-
C00018
2.67
-
Pyridoxine (Vitamin B6)
Pyridoxine
ME483100
-
C00314
1.66
-
Pyroglutamic acid
Pyroglutamic acid
ME483001
-
C01879
1.99
-
Methylglyoxal
Pyruvaldehyde
ME482942
-
C00546
2.17
-
Quinic acid
Quinic acid
ME483071
-
C00296
1.43
-
2,3-Pyridinedicarboxylic acid
Quinolinic acid
ME483077
-
C03722
2.17
-
Raffinose
Raffinose
ME482926
-
C00492
1.44
-
a-L-Rhamnose
Rhamnose
ME483030
-
C00507
1.56
-
Ribitol
Ribitol
ME482989
-
C00474
1.35
-
Riboflavin (Vitamin B2)
Riboflavin
ME482924
-
C00255
6.46
-
D-Ribose
Ribose
ME482981
-
C00121
1.45
-
Rosmarinic Acid
Rosmarinic acid
ME482925
-
C01850
7.37
-
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME482919
-
C00021
2.36
-
Salicylic acid
Salicylic acid
ME483083
-
C00805
6.92
-
Sarcosine
Sarcosine
ME482948
-
C00213
1.36
-
S-(Carboxymethyl)-L-cysteine
S-Carboxymethyl-cysteine
ME483012
-
C03727
1.39
-
L-Serine
Serine
ME482950
-
C00065
1.25
-
Shikimic acid
Shikimic acid
ME483068
-
C00493
1.69
-
SPHINGOMYELIN
SM 18:1;O2/18:0
ME482956
-
-
13.99
-
Glycerol 2-phosphate
sn-Glycero-2-phosphate
ME482955
-
C02979
1.31
-
Glyceryl phosphate
sn-Glycero-3-phosphate
ME482954
-
C00093
1.31
-
Sorbic acid
Sorbic acid
ME483060
-
-
9.16
-
D-Sorbitol
Sorbitol
ME483055
-
C00794
1.35
-
L-(-)Sorbose
Sorbose
ME483031
-
C00247
1.36
-
Stachyose
Stachyose
ME482935
-
C01613
1.45
-
Suberic acid
Suberic acid
ME483103
-
C08278
7.2
-
Succinic acid
Succinic acid
ME482962
-
C00042
2.33
-
Succinylacetone
Succinylacetone
ME483067
-
-
4.45
-
Sucrose
Sucrose
ME482912
-
C00089
1.42
-
tartaric acid
Tartaric acid
ME482965
-
C00898
1.38
-
Taurine
Taurine
ME482939
-
C00245
1.26
-
Theophylline
Theophylline
ME483093
-
C07130
5.23
-
L-Threonine
Threonine
ME482976
-
C00188
1.3
-
Thymidine
Thymidine
ME482890
-
C00214
3.88
-
Thymine
Thymine
ME482995
-
C00178
3.03
-
trans-Aconitate
trans-Aconitic acid
ME483058
-
C02341
2.32
-
ferulic acid
trans-Ferulic acid
ME482880
-
C01494
6.89
-
a,a-Trehalose
Trehalose
ME482910
-
C01083
1.42
-
Trigonelline
Trigonelline
ME483089
-
C01004
1.39
-
L-Tryptophan
Tryptophan
ME482899
-
C00078
4.59
-
L-Tyrosine
Tyrosine
ME483127
-
C00082
2.17
-
2-(4-Hydroxyphenyl)ethanol (tyrosol)
Tyrosol
ME483098
-
C06044
4.96
-
UDP-D-galactose
UDP-galactose
ME482922
-
C00052
1.67
-
UDP-glucose
UDP-glucose
ME482921
-
C00029
1.67
-
Uridine monophosphate (UMP)
UMP
ME483131
-
C00105
1.6
-
3-Ureidopropionic acid
Ureidopropionic acid
ME482971
-
C02642
1.7
-
Uric acid
Uric acid
ME482994
-
C00366
1.92
-
Uridine
Uridine
ME483128
-
C00299
2.25
-
Urocanic acid
Urocanic acid
ME483057
-
C00785
1.59
-
L-Valine
Valine
ME482984
-
C00183
1.65
-
Vanillylmandelic acid
Vanillylmandelic acid
ME483125
-
C05584
3.26
-
3-Methoxy-4-hydroxyphenylethylene glycol
Vanylglycol
ME483130
-
C05594
3.75
-
Xanthine
Xanthine
ME482993
-
C00385
2.29
-
Xanthosine
Xanthosine
ME482884
-
C01762
3.49
-
Xylitol
Xylitol
ME482988
-
C00379
1.35
-
2-Amino-6-(benzylthio)purine
-
ME482907
-
-
3.67
-
3,4-Dihydroxyphenyl ethanol (DOPET)
-
ME483099
-
-
4.11
-
3-O-Methyl-L-DOPA
-
ME482889
-
-
3.12
-
Acetyl-L-tyrosine
-
ME482903
-
-
4.95
-
Diethyl fumarate
-
ME483101
-
-
9.59
-
Fumaryl acetone
-
ME483085
-
-
6.92
-
Glycylprolylhydroxyproline
-
ME482909
-
-
1.69
-
UBRM_1.24_287.1571
-
ME483145
-
-
1.24
-
UBRM_1.28_202.0954
-
ME483141
-
-
1.28
-
UBRM_1.37_260.1001
-
ME483150
-
-
1.37
-
UBRM_1.42_250.1065
-
ME483151
-
-
1.42
-
UBRM_1.45_228.1106
-
ME483152
-
-
1.45
-
UBRM_1.58_172.0843
-
ME483139
-
-
1.58
-
UBRM_1.68_342.1532
-
ME483148
-
-
1.68
-
UBRM_1.84_174.0999
-
ME483140
-
-
1.84
-
UBRM_1.99_230.126
-
ME483142
-
-
1.99
-
UBRM_2.39_184.0842
-
ME483153
-
-
2.39
-
UBRM_3.28_244.1415
-
ME483143
-
-
3.28
-
UBRM_3.71_609.2719
-
ME483146
-
-
3.71
-
UBRM_3.8_439.2038
-
ME483147
-
-
3.8
-
UBRM_4.28_278.1259
-
ME483144
-
-
4.28
-
UBRM_4.3_1250.5456
-
ME483154
-
-
4.3
-
UBRM_6.35_282.0964
-
ME483149
-
-
6.35
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-hydroxy capric acid
10-Hydroxydecanoic acid
ME483168
-
C02774
9.269
-
Cortexolone
11-Deoxycortisol
ME483197
-
C05488
9.98
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME483191
-
C08317
10.523
-
1-Aminocyclopropane-1-carboxylic acid
1-Aminocyclopropanecarboxylic acid
ME483231
-
C01234
1.295
-
Indole-3-acetamide
1H-Indole-3-acetamide
ME483155
-
C02693
6.035
-
1-Methyladenosine
1-Methyladenosine
ME483178
-
C02494
4.389
-
N-Methylhistamine
1-Methylhistamine
ME483292
-
-
1.257
-
1-methylhistidine
1-Methylhistidine
ME483343
-
C01152
1.124
-
D-MANNOSAMINE
2-Amino-2-deoxy-D-mannose
ME483314
-
-
1.267
-
2-Aminophenol
2-Aminophenol
ME483337
-
C01987
2.162
-
2-Deoxyglucose
2-Deoxy-glucose
ME483300
-
-
1.428
-
2-hydroxy-4- (methylthio) butyric acid
2-Hydroxy-4-(methylthio)butanoic acid
ME483248
-
-
4.924
-
2-Amino-1-Phenylethanol
2-Hydroxyphenethylamine
ME483366
-
C02735
3.024
-
2-hydroxypyridine
2-Hydroxypyridine
ME483264
-
-
3.114
-
2-Methylglutaric acid
2-Methylglutaric acid
ME483287
-
-
4.744
-
Dihydroxyphenylacetic acid
3,4-Dihydroxybenzeneacetic acid
ME483378
-
C01161
4.432
-
cAMP
3',5' cyclic AMP
ME483161
-
C00575
3.474
-
3-Amino-4-hydroxybenzoic acid
3-Amino-4-hydroxybenzoic acid
ME483357
-
C12115
2.43
-
AHBA
3-Amino-5-hydroxybenzoic acid
ME483355
-
C12107
2.43
-
DL-3-amino-isobutanoic acid
3-Aminoisobutanoic acid
ME483240
-
C05145
1.289
-
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME483356
-
C00632
4.617
-
m-Salicylic acid
3-Hydroxybenzoic acid
ME483352
-
C00587
5.702
-
3-Hydroxyphenylacetic acid
3-Hydroxyphenylacetic acid
ME483377
-
C05593
5.694
-
3-Methoxytyramine
3-Methoxytyramine
ME483389
-
C05587
3.197
-
3-Methyladenine
3-Methyladenine
ME483336
-
C00913
1.703
-
3-Sulfino-L-alanine
3-Sulfino-alanine
ME483217
-
C00606
1.387
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME483296
-
C02946
3.142
-
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME483375
-
C00642
5.314
-
4-Hydroxy-L-phenylglycine
4-Hydroxyphenylglycine
ME483379
-
C12323
1.374
-
4-Pyridoxic acid
4-Pyridoxic acid
ME483380
-
C00847
3.219
-
4-Quinolinecarboxylic acid
4-Quinolinecarboxylic acid
ME483170
-
C06414
3.229
-
5(d)-Aminolevulinic Acid
5-Amino-levulinic acid
ME483275
-
C00430
1.208
-
5'-Deoxyadenosine
5'-Deoxyadenosine
ME483162
-
C05198
4.127
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME483173
-
C05635
5.015
-
Hydroxylysine
5-Hydroxylysine
ME483325
-
C01211
1.082
-
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME483174
-
C05660
6.77
-
5-Methylcytosine
5-Methylcytosine
ME483267
-
C02376
1.391
-
5'-Deoxy-5'-(methylthio)adenosine
5'-Methylthioadenosine
ME483177
-
C00170
5.335
-
Acetoin
Acetoin
ME483238
-
C00810
1.339
-
Adenine
Adenine
ME483263
-
C00147
1.642
-
Adipic acid
Adipic acid
ME483288
-
C06104
4.615
-
Agmatine
Agmatine
ME483260
-
C00179
1.005
-
L-Alanine
Alanine
ME483213
-
C00041
1.264
-
Allose
Allose
ME483306
-
C01487
1.351
-
Allotetrahydrocortisol
Allotetrahydrocortisol
ME483200
-
-
9.166
-
Allothreonine
Allothreonine
ME483244
-
C05519
1.291
-
L-2-Aminoadipic acid
Aminoadipic acid
ME483297
-
C00956
1.375
-
L-Anserine
Anserine
ME483167
-
C01262
1.098
-
L-Arginine
Arginine
ME483326
-
C00062
1.104
-
L-Asparagine
Asparagine
ME483235
-
C00152
1.253
-
L-Aspartic Acid
Aspartic acid
ME483232
-
C00049
1.276
-
Methyl N-(a-methylbutyryl)glycine
Azelaic acid
ME483392
-
C08261
8.124
-
Betaine
Betaine
ME483255
-
C00719
-
-
Butanal
Butanal
ME483237
-
C01412
8.759
-
Cadaverine
Cadaverine
ME483259
-
C01672
1.001
-
Caffeic Acid
Caffeic acid
ME483395
-
C01481
6.168
-
Caffeine
Caffeine
ME483361
-
C07481
5.967
-
Carnitine
Carnitine
ME483349
-
C00318
1.228
-
Carnosine
Carnosine
ME483391
-
C00386
1.081
-
D-(+)-Cellobiose
Cellobiose
ME483190
-
-
1.387
-
Cholic acid
Cholic acid
ME483202
-
C00695
11.606
-
2-Aminoethylphosphonic acid
Ciliatine
ME483209
-
C03557
1.249
-
cis-4-Hydroxy-D-proline
cis-4-Hydroxy-D-proline
ME483276
-
C03440
1.291
-
p-Coumaric acid
cis-p-Coumaric acid
ME483394
-
C00811
6.679
-
Citramalic acid
Citramalic acid
ME483272
-
C00815
2.412
-
Citrulline
Citrulline
ME483311
-
C00327
1.289
-
Corticosterone
Corticosterone
ME483198
-
C02140
9.9
-
Cortisol
Cortisol
ME483199
-
C00735
9.27
-
Creatine
Creatine
ME483239
-
C00300
1.321
-
Creatinine
Creatinine
ME483230
-
C00791
1.211
-
L-Cystathionine
Cystathionine
ME483347
-
C02291
1.209
-
L-Cysteine
Cysteine
ME483215
-
C00097
1.345
-
L-Cystine
Cystine
ME483299
-
C00491
1.234
-
Cytidine
Cytidine
ME483388
-
C00475
1.449
-
Cytosine
Cytosine
ME483226
-
C00380
1.444
-
D-Aspartic acid
D-Aspartic acid
ME483233
-
C00402
1.278
-
Deoxyadenosine
Deoxyadenosine
ME483163
-
C00559
3.404
-
desoxycorticosterone acetate
Deoxycorticosterone acetate
ME483201
-
C14554
11.263
-
Deoxycytidine
Deoxycytidine
ME483387
-
C00881
1.583
-
6-Deoxy-L-galactose
D-Fucose
ME483301
-
C01019
1.569
-
Diethanolamine
Diethanolamine
ME483222
-
C06772
1.14
-
Dihydrouracil
Dihydrouracil
ME483228
-
C00429
1.321
-
L-Dopa
DOPA
ME483384
-
C00355
1.768
-
Dopamine
Dopamine
ME483367
-
C03758
1.663
-
D-Ornithine
D-Ornithine
ME483253
-
C00515
1.076
-
D-Tagatose
D-Tagatose
ME483307
-
C00795
1.361
-
Erythritol
Erythritol
ME483221
-
C00503
1.372
-
D-Erythrose 4-phosphate
Erythrose 4-phosphate
ME483245
-
C00279
1.374
-
Ethylmalonic acid
Ethylmalonic acid
ME483271
-
-
3.825
-
Flavin adenine dinucleotide (FAD)
FAD
ME483205
-
C00016
5.966
-
D-Fructose 6-phosphate
Fructose 6-phosphate
ME483321
-
C00085
1.404
-
Dulcitol
Galactitol
ME483328
-
C01697
1.317
-
D-Galactosamine
Galactosamine
ME483316
-
C02262
1.126
-
D-Galactose
Galactose
ME483308
-
C00124
1.329
-
a-D-Galactose 1-phosphate
Galactose 1-phosphate
ME483319
-
C00446
1.334
-
?-Aminobutryic acid
gamma-Aminobutyric acid
ME483241
-
C00334
1.179
-
D-Saccharic acid
Glucaric acid
ME483291
-
C00818
1.423
-
Gluconic acid
Gluconic acid
ME483310
-
C00257
1.365
-
Glucosamine
Glucosamine
ME483315
-
C00329
1.117
-
D-Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME483327
-
C00352
1.218
-
Glucosaminic acid
Glucosaminic acid
ME483317
-
C03752
1.251
-
a-D-Glucose
Glucose
ME483305
-
C00267
1.342
-
a-D-Glucose 1-phosphate
Glucose 1-phosphate
ME483322
-
C00103
1.397
-
D-Glucose 6-phosphate
Glucose 6-phosphate
ME483318
-
C00092
1.386
-
D-Glucuronic acid
Glucuronic acid
ME483290
-
C00191
1.328
-
Glucuronolactone
Glucuronolactone
ME483339
-
C02670
1.432
-
L-Glutamate
Glutamic acid
ME483278
-
C00025
1.299
-
Glutamine
Glutamine
ME483246
-
C00064
1.262
-
Glyceraldehyde
Glyceraldehyde
ME483211
-
C02154
1.399
-
Glycine
Glycine
ME483206
-
C00037
1.234
-
Glycocholic Acid
Glycocholic acid
ME483204
-
C01921
11.039
-
Guanidinosuccinic Acid
Guanidinosuccinic acid
ME483274
-
C03139
1.325
-
Guanidineacetic acid
Guanidoacetic acid
ME483212
-
C00581
1.388
-
Hippuric acid
Hippuric acid
ME483396
-
C01586
5.476
-
Histamine
Histamine
ME483273
-
C00388
1.006
-
L-Histidine
Histidine
ME483341
-
C00135
1.092
-
Homocystine
Homocystine
ME483374
-
C01817
1.418
-
DL-Homoserine
Homoserine
ME483242
-
C00263
1.271
-
Hydroxyhippuric acid
Hydroxyhippuric acid
ME483397
-
-
4.43
-
3-Hydroxy-DL-kynurenine
Hydroxykynurenine
ME483158
-
C02794
2.193
-
Hypotaurine
Hypotaurine
ME483207
-
C00519
1.284
-
Hypoxanthine
Hypoxanthine
ME483261
-
C00262
2.065
-
Imidazoleacetic acid
Imidazoleacetic acid
ME483265
-
C02835
1.291
-
3-(3-Indolyl)-2-oxopropanoic acid
Indolepyruvate
ME483180
-
C00331
6.003
-
Inosine
Inosine
ME483159
-
C00294
2.956
-
Isocitrate
Isocitric acid
ME483340
-
C00311
1.625
-
L-Isoleucine
Isoleucine
ME483312
-
C00407
2.547
-
Itaconic acid
Itaconic acid
ME483266
-
C00490
3.444
-
Ketoleucine
Ketoleucine
ME483285
-
C00233
5.152
-
Kynurenic acid
Kynurenic acid
ME483171
-
C01717
5.313
-
Kynurenine
Kynurenine
ME483157
-
C00328
3.505
-
Lactose
Lactose
ME483185
-
C00243
1.33
-
L-(-)-Arabitol
L-Arabitol
ME483258
-
C03291
1.356
-
Dehydroascorbic acid
L-Dehydroascorbic acid
ME483335
-
C00425
1.367
-
L-Leucine
Leucine
ME483313
-
C00123
2.736
-
Gulonolactone
L-Gulonolactone
ME483289
-
C01040
1.38
-
L-Histidinol
L-Histidinol
ME483293
-
C00860
0.999
-
Homocysteine thiolactone
L-Homocysteine thiolactone
ME483234
-
-
1.339
-
Lumichrome
Lumichrome
ME483181
-
C01727
8.308
-
L-Lysine
Lysine
ME483324
-
C00047
1.072
-
D-(-)-Lyxose
Lyxose
ME483250
-
C00476
1.368
-
Maleamic acid
Maleamate
ME483227
-
C01596
1.87
-
Maleimide
Maleimide
ME483224
-
C07272
1.873
-
Maltose
Maltose
ME483188
-
C00208
1.38
-
R-(-)-Mandelic acid
Mandelic acid
ME483376
-
C01984
4.852
-
D-Mannitol
Mannitol
ME483329
-
C00392
1.347
-
D-(+)-Mannose
Mannose
ME483304
-
C00159
1.349
-
D-Mannose 6-phosphate
Mannose 6-phosphate
ME483320
-
C00275
1.315
-
Melibiose
Melibiose
ME483187
-
C05402
1.343
-
L-Methionine
Methionine
ME483252
-
C00073
1.852
-
Methyl acetoacetate
Methylacetoacetic acid
ME483269
-
-
4.464
-
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME483348
-
-
1.56
-
3-Methylglutaric acid
Methylglutaric acid
ME483286
-
-
4.711
-
Methylmalonic acid
Methylmalonic acid
ME483229
-
C02170
1.855
-
(±)-Mevalonolactone
Mevalonolactone
ME483284
-
-
3.125
-
mono-Ethyl malonate
Monoethyl malonic acid
ME483270
-
-
4.6
-
myo-Inositol
Myo-inositol
ME483303
-
C00137
1.286
-
N1-Acetylspermine
N1-Acetylspermine
ME483192
-
C02567
0.943
-
N-Acetyl-L-alanine
N-Acetylalanine
ME483277
-
C00624
2.578
-
N-ALPHA-ACETYL-L-ASPARAGINE
N-Acetylasparagine
ME483283
-
-
1.606
-
N-acetylaspartate
N-Acetylaspartic acid
ME483342
-
C01042
1.893
-
N-Acetyl-D-galactosamine
N-Acetyl-D-galactosamine
ME483373
-
C01132
1.44
-
a-N-Acetylglucosamine
N-Acetylhexosamine
ME483372
-
C02711
1.442
-
N-Acetyl-L-glutamic acid
N-Acetyl-mannosamine
ME483344
-
C00624
2.262
-
N-Acetyl-ß-D-mannosamine
N-Acetyl-mannosamine
ME483371
-
-
1.394
-
N-Acetylneuraminic Acid
N-Acetylneuraminic acid
ME483179
-
C00270
1.466
-
N-Acetylputrescine
N-Acetylputrescine
ME483323
-
C02714
1.374
-
N-Acetyl-DL-serine
N-Acetylserine
ME483281
-
-
1.674
-
N-Acetyl-DL-tryptophan
N-Acetyl-tryptophan
ME483193
-
-
7.023
-
Niacin (Nicotinic acid)
Nicotinic acid
ME483332
-
C00253
2.111
-
N-Methyl-D-aspartic acid
N-Methyl-D-aspartic acid
ME483279
-
C12269
1.315
-
N-Methyl-L-glutamate
N-Methyl-glutamic acid
ME483298
-
C01046
1.348
-
Normetanephrine
Normetanephrine
ME483390
-
C05589
1.606
-
O-Acetylserine
O-Acetylserine
ME483280
-
C00979
1.426
-
L-Ornithine
Ornithine
ME483254
-
C00077
1.085
-
Palatinose
Palatinose
ME483189
-
C01742
1.404
-
Pantothenic Acid
Pantothenic acid
ME483393
-
C00864
4.337
-
Paraxanthine
Paraxanthine
ME483359
-
C13747
5.027
-
L-Phenylalanine
Phenylalanine
ME483382
-
C00079
3.881
-
Phenylethylamine
Phenylethylamine
ME483364
-
C05332
4.163
-
Phosphocreatine
Phosphocreatine
ME483220
-
C02305
1.418
-
O-Phosphorylethanolamine
Phosphoethanolamine
ME483210
-
C00346
1.25
-
Picolinic acid
Picolinic acid
ME483333
-
C10164
1.786
-
Pimelic acid
Pimelic acid
ME483345
-
C02656
5.903
-
DL-pipecolic acid
Pipecolic acid
ME483294
-
C00408
1.685
-
L-Pipecolic acid
Pipecolic acid
ME483295
-
C00408
1.678
-
Prephenic acid
Prephenic acid
ME483156
-
C00254
2.097
-
3,4-Dihydroxybenzoic acid
Protocatechuic acid
ME483353
-
C00230
4.312
-
D-PSICOSE
Psicose
ME483309
-
-
1.4
-
Pterine
Pterin
ME483331
-
C00715
2.826
-
Putrescine
Putrescine
ME483223
-
C00134
0.982
-
Pyrocatechol
Pyrocatechol
ME483334
-
C00090
4.698
-
Pyroglutamic acid
Pyroglutamic acid
ME483268
-
C01879
2.119
-
Quinaldic acid
Quinaldic acid
ME483169
-
C06325
5.751
-
Quinic acid
Quinic acid
ME483346
-
C00296
1.469
-
2,3-Pyridinedicarboxylic acid
Quinolinic acid
ME483351
-
C03722
2.117
-
Raffinose
Raffinose
ME483196
-
C00492
1.446
-
Ribitol
Ribitol
ME483257
-
C00474
1.364
-
Riboflavin (Vitamin B2)
Riboflavin
ME483195
-
C00255
6.495
-
D-Ribose
Ribose
ME483251
-
C00121
1.408
-
salsolinol
Salsolinol
ME483164
-
C09642
2.153
-
Sarcosine
Sarcosine
ME483214
-
C00213
1.304
-
S-(Carboxymethyl)-L-cysteine
S-Carboxymethyl-cysteine
ME483282
-
C03727
1.434
-
L-Serine
Serine
ME483216
-
C00065
1.246
-
Glycerol 2-phosphate
sn-Glycero-2-phosphate
ME483219
-
C02979
1.447
-
Glyceryl phosphate
sn-Glycero-3-phosphate
ME483218
-
C00093
1.426
-
D-Sorbitol
Sorbitol
ME483330
-
C00794
1.349
-
L-(-)Sorbose
Sorbose
ME483302
-
C00247
1.353
-
Spermidine
Spermidine
ME483350
-
C00315
0.909
-
Stachyose
Stachyose
ME483203
-
C01613
1.387
-
Suberic acid
Suberic acid
ME483370
-
C08278
7.096
-
Sucrose
Sucrose
ME483186
-
C00089
1.439
-
Taurine
Taurine
ME483208
-
C00245
1.267
-
Theobromine
Theobromine
ME483360
-
C07480
4.547
-
Theophylline
Theophylline
ME483358
-
C07130
5.226
-
L-Threonine
Threonine
ME483243
-
C00188
1.29
-
Thymidine
Thymidine
ME483166
-
C00214
3.96
-
a,a-Trehalose
Trehalose
ME483184
-
C01083
1.368
-
Trigonelline
Trigonelline
ME483354
-
C01004
1.397
-
L-Tryptophan
Tryptophan
ME483175
-
C00078
4.603
-
Tyramine
Tyramine
ME483365
-
C00483
2.291
-
L-Tyrosine
Tyrosine
ME483383
-
C00082
2.169
-
2-(4-Hydroxyphenyl)ethanol (tyrosol)
Tyrosol
ME483362
-
C06044
4.881
-
Uracil
Uracil
ME483225
-
C00106
1.811
-
3-Ureidopropionic acid
Ureidopropionic acid
ME483236
-
C02642
1.717
-
Uridine
Uridine
ME483385
-
C00299
2.262
-
Valeric acid
Valeric acid
ME483247
-
C00803
9.487
-
Vanillylmandelic acid
Vanillylmandelic acid
ME483381
-
C05584
3.218
-
3-Methoxy-4-hydroxyphenylethylene glycol
Vanylglycol
ME483386
-
C05594
3.729
-
L-Ascorbic acid
Vitamin C
ME483338
-
C00072
1.608
-
Xanthine
Xanthine
ME483262
-
C00385
2.266
-
Xanthosine
Xanthosine
ME483160
-
C01762
3.493
-
Xanthurenic acid
Xanthurenic acid
ME483172
-
C02470
5.029
-
Norepinephrine (noradrenaline)
Xi-Norepinephrine
ME483368
-
C00547
1.23
-
Xylitol
Xylitol
ME483256
-
C00379
1.357
-
D-(+)-Xylose
Xylose
ME483249
-
C00181
1.369
-
2-Amino-6-(benzylthio)purine
-
ME483182
-
-
3.58
-
3,4-Dihydroxyphenyl ethanol (DOPET)
-
ME483363
-
-
4.01
-
3-O-Methyl-L-DOPA
-
ME483165
-
-
3.129
-
Acetyl-L-tyrosine
-
ME483176
-
-
4.803
-
Diethyl fumarate HT-1
-
ME483369
-
-
9.579
-
Glycylprolylhydroxyproline
-
ME483183
-
-
1.737
-
S-(5-ADENOSYL)-L-METHIONINE
-
ME483194
-
-
1.144
-
UBRM_1.23_287.1583
-
ME483404
-
-
1.23
-
UBRM_1.3_202.0956
-
ME483401
-
-
1.3
-
UBRM_1.38_260.1007
-
ME483411
-
-
1.38
-
UBRM_1.43_250.1063
-
ME483412
-
-
1.43
-
UBRM_1.47_228.1112
-
ME483413
-
-
1.47
-
UBRM_1.62_172.0855
-
ME483398
-
-
1.62
-
UBRM_1.68_342.1566
-
ME483408
-
-
1.68
-
UBRM_1.84_174.1004
-
ME483399
-
-
1.84
-
UBRM_1.86_230.1276
-
ME483402
-
-
1.86
-
UBRM_1.87_307.1174
-
ME483409
-
-
1.87
-
UBRM_3.23_244.1423
-
ME483403
-
-
3.23
-
UBRM_3.72_609.2743
-
ME483406
-
-
3.72
-
UBRM_3.79_439.2055
-
ME483407
-
-
3.79
-
UBRM_4.24_278.1267
-
ME483400
-
-
4.24
-
UBRM_4.32_1250.5524
-
ME483415
-
-
4.32
-
UBRM_4.63_777.3609
-
ME483405
-
-
4.63
-
UBRM_5.79_1540.7517
-
ME483414
-
-
5.79
-
UBRM_6.31_282.0983
-
ME483410
-
-
6.31
-
Analysis: Normal phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-hydroxy capric acid
10-Hydroxydecanoic acid
ME483444
-
C02774
1.68
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME483483
-
C08317
1.68
-
1-Hydroxy-2-naphthoic acid
1-Hydroxy-2-naphthoate
ME483541
-
C03203
1.75
-
1-Methyladenosine
1-Methyladenosine
ME483442
-
C02494
6.1
-
2',3'-Cyclic CMP
2',3' cyclic CMP
ME483518
-
C02354
8.06
-
2-Aminophenol
2-Aminophenol
ME483545
-
C01987
1.78
-
2-hydroxy-4- (methylthio) butyric acid
2-Hydroxy-4-(methylthio)butanoic acid
ME483473
-
-
1.76
-
2-hydroxy-butanoic acid
2-Hydroxybutyric acid
ME483510
-
C05984
2.44
-
2-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid
ME483514
-
C05852
1.69
-
2-hydroxypyridine
2-Hydroxypyridine
ME483435
-
-
5.57
-
2,3-Dihydroxybenzoic acid
2-Pyrocatechuic acid
ME483455
-
C00196
1.8
-
DL-3,4-Dihydroxymandelic acid
3,4-Dihydroxymandelic acid
ME483537
-
C05580
4.18
-
DL-3,4-Dihydroxyphenyl glycol
3,4-Dihydroxyphenylglycol
ME483452
-
C05576
4.13
-
cAMP
3',5' cyclic AMP
ME483512
-
C00575
7.81
-
cGMP
3',5' cyclic GMP
ME483536
-
C00942
8.35
-
3-Amino-4-hydroxybenzoic acid
3-Amino-4-hydroxybenzoic acid
ME483441
-
C12115
1.78
-
3-Dehydroshikimic acid
3-Dehydroshikimate
ME483453
-
C02637
4.07
-
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME483493
-
C00632
1.6
-
3-Hydroxybenzaldehyde
3-Hydroxybenzaldehyde
ME483416
-
C03067
1.57
-
3-hydroxy-3-methyl-Glutaric acid
3-Hydroxymethylglutaric acid
ME483481
-
C03761
3.77
-
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME483436
-
C00671
1.66
-
3-Methyloxindole
3-Methyloxindole
ME483439
-
C02366
1.75
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME483454
-
C02946
3.67
-
4-Hydroxyphenyllactic acid
4-Hydroxyphenyllactic acid
ME483522
-
-
1.67
-
4-Methylcatechol
4-Methylcatechol
ME483467
-
C06730
1.76
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME483491
-
C05635
1.64
-
Hydroxylysine
5-Hydroxylysine
ME483431
-
C01211
8.16
-
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME483465
-
C00643
6.44
-
6-Hydroxynicotinic acid
6-Hydroxynicotinic acid
ME483480
-
C01020
4.35
-
6-Methylmercaptopurine
6-Methylthiopurine
ME483484
-
C16614
1.83
-
Allantoin
Allantoin
ME483548
-
C01551
5.4
-
L-2-Aminoadipic acid
Aminoadipic acid
ME483425
-
C00956
6.63
-
Adenosine5'-monophosphate
AMP
ME483438
-
C00020
8.57
-
L-Asparagine
Asparagine
ME483531
-
C00152
7.34
-
L-Aspartic Acid
Aspartic acid
ME483497
-
C00049
7.14
-
Methyl N-(a-methylbutyryl)glycine
Azelaic acid
ME483430
-
C08261
1.74
-
Caffeic Acid
Caffeic acid
ME483458
-
C01481
1.77
-
Chenodeoxycholic Acid
Chenodeoxycholic acid
ME483471
-
C02528
1.82
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME483456
-
C01015
6.87
-
p-Coumaric acid
cis-p-Coumaric acid
ME483534
-
C00811
1.85
-
2-METHYLMALEATE
Citraconic acid
ME483478
-
-
3.95
-
Citramalic acid
Citramalic acid
ME483449
-
C00815
4.15
-
5'-CMP
CMP
ME483517
-
C00055
8.76
-
Cortisone
Cortisone
ME483490
-
C00762
1.75
-
Creatinine
Creatinine
ME483511
-
C00791
5.12
-
L-Cystathionine
Cystathionine
ME483501
-
C02291
8.69
-
Cysteic acid
Cysteic acid
ME483479
-
C00506
8.29
-
L-Cystine
Cystine
ME483502
-
C00491
8.87
-
Deoxyadenosine
Deoxyadenosine
ME483546
-
C00559
5
-
Deoxyguanosine
Deoxyguanosine
ME483547
-
C00330
5.94
-
5,6-Dimethylbenzimidazole
Dimethylbenzimidazole
ME483504
-
C03114
1.76
-
D-(+)-Malic acid
D-Malic acid
ME483520
-
C00497
4.4
-
Dopamine
Dopamine
ME483488
-
C03758
5.11
-
(-)-Epinephrine
Epinephrine
ME483486
-
C00788
5.4
-
Folic acid
Folic acid
ME483509
-
C00504
6.03
-
a-D-Galactose 1-phosphate
Galactose 1-phosphate
ME483448
-
C00446
9.71
-
?-Aminobutryic acid
gamma-Aminobutyric acid
ME483495
-
C00334
5.36
-
Gluconic acid
Gluconic acid
ME483489
-
C00257
6.62
-
D-Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME483461
-
C00352
9.34
-
a-D-Glucose
Glucose
ME483477
-
C00267
6.65
-
D-Glucuronic acid
Glucuronic acid
ME483523
-
C00191
6.67
-
L-Glutamate
Glutamic acid
ME483499
-
C00025
6.83
-
Glutamine
Glutamine
ME483498
-
C00064
7.12
-
Glutathione
Glutathione
ME483530
-
C00051
6.97
-
Glyceric acid
Glyceric acid
ME483470
-
C00258
4.1
-
Glycocholic Acid
Glycocholic acid
ME483472
-
C01921
4.42
-
Guanidinosuccinic Acid
Guanidinosuccinic acid
ME483513
-
C03139
6.43
-
Guanosine
Guanosine
ME483426
-
C00387
6.46
-
Homocystine
Homocystine
ME483468
-
C01817
8.16
-
Homogentisic acid
Homogentisic acid
ME483466
-
C00544
1.74
-
Indoxylsulfuric acid
Indoxyl sulfate
ME483475
-
-
4.14
-
Inosine
Inosine
ME483506
-
C00294
5.6
-
L-Isoleucine
Isoleucine
ME483533
-
C00407
5.65
-
Kynurenic acid
Kynurenic acid
ME483476
-
C01717
4.9
-
Lactose
Lactose
ME483519
-
C00243
7.87
-
Gulonolactone
L-Gulonolactone
ME483459
-
C01040
4.74
-
Lumazine
Lumazine
ME483474
-
-
4.1
-
Lumichrome
Lumichrome
ME483421
-
C01727
1.75
-
L-Lysine
Lysine
ME483500
-
C00047
8.25
-
Maleic acid
Maleic acid
ME483423
-
C01384
4.33
-
D-Mannitol
Mannitol
ME483526
-
C00392
6.35
-
D-(+)-Mannose
Mannose
ME483460
-
C00159
6.48
-
D-Mannose 6-phosphate
Mannose 6-phosphate
ME483462
-
C00275
9.4
-
Melibiose
Melibiose
ME483505
-
C05402
8.45
-
L-Methionine sulfoximine
Methionine sulfoximine
ME483443
-
C03510
7.73
-
3-Methylglutaric acid
Methylglutaric acid
ME483516
-
-
1.86
-
Methylmalonic acid
Methylmalonic acid
ME483487
-
C02170
3.68
-
myo-Inositol
Myo-inositol
ME483542
-
C00137
8.27
-
Acetyllysine
N(2)-Acetyllysine
ME483445
-
C12989
6.12
-
N6-(DELTA2-ISOPENTENYL)-ADENINE
N6-Isopentenyladenine
ME483450
-
-
1.75
-
N-Acetyl-L-alanine
N-Acetylalanine
ME483549
-
C00624
3.31
-
N-ALPHA-ACETYL-L-ASPARAGINE
N-Acetylasparagine
ME483464
-
-
4.74
-
N-acetylaspartate
N-Acetylaspartic acid
ME483552
-
C01042
4.48
-
Aceturic acid
N-Acetylglycine
ME483492
-
-
3.82
-
a-N-Acetylglucosamine
N-Acetylhexosamine
ME483535
-
C02711
6.18
-
Acetyl-L-Leucine
N-Acetylleucine
ME483427
-
-
1.87
-
N-Acetyl-L-glutamic acid
N-Acetyl-mannosamine
ME483428
-
C00624
4.32
-
N-Acetyl-ß-D-mannosamine
N-Acetyl-mannosamine
ME483538
-
-
6.1
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME483446
-
-
1.83
-
N-Acetyl-DL-serine
N-Acetylserine
ME483544
-
-
4.18
-
Nitrotyrosine
Nitrotyrosine
ME483515
-
-
6
-
N-Methyl-L-glutamate
N-Methyl-glutamic acid
ME483525
-
C01046
6.53
-
Oxoadipic acid
Oxoadipic acid
ME483457
-
C00322
3.66
-
Palatinose
Palatinose
ME483433
-
C01742
7.8
-
Pantothenic Acid
Pantothenic acid
ME483432
-
C00864
4.05
-
L-Phenylalanine
Phenylalanine
ME483521
-
C00079
5.81
-
Phenylpyruvic acid
Phenylpyruvic acid
ME483440
-
C00166
1.68
-
Pimelic acid
Pimelic acid
ME483424
-
C02656
1.81
-
Pyridoxal (Vitamin B6)
Pyridoxal
ME483524
-
C00250
4.07
-
Pyrocatechol
Pyrocatechol
ME483429
-
C00090
1.67
-
Pyroglutamic acid
Pyroglutamic acid
ME483551
-
C01879
4.03
-
Quinic acid
Quinic acid
ME483539
-
C00296
5.88
-
Raffinose
Raffinose
ME483485
-
C00492
8.77
-
Resorcinol monoacetate
Resorcinol monoacetate
ME483417
-
C12064
1.49
-
Riboflavin (Vitamin B2)
Riboflavin
ME483540
-
C00255
5.66
-
Rosmarinic Acid
Rosmarinic acid
ME483447
-
C01850
4.06
-
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME483550
-
C00021
7.7
-
Salicylic acid
Salicylic acid
ME483527
-
C00805
1.74
-
salsolinol
Salsolinol
ME483451
-
C09642
4.51
-
Sarcosine
Sarcosine
ME483420
-
C00213
6.4
-
Shikimic acid
Shikimic acid
ME483434
-
C00493
5.01
-
Stachyose
Stachyose
ME483469
-
C01613
9.29
-
Suberic acid
Suberic acid
ME483482
-
C08278
1.85
-
Succinic acid
Succinic acid
ME483422
-
C00042
3.52
-
Sucrose
Sucrose
ME483503
-
C00089
7.45
-
Taurine
Taurine
ME483419
-
C00245
6.72
-
L-Threonine
Threonine
ME483532
-
C00188
6.8
-
trans-Aconitate
trans-Aconitic acid
ME483463
-
C02341
4.46
-
Uridine monophosphate (UMP)
UMP
ME483507
-
C00105
9.08
-
Uric acid
Uric acid
ME483529
-
C00366
6.58
-
Urocanic acid
Urocanic acid
ME483418
-
C00785
4.8
-
Vanillylmandelic acid
Vanillylmandelic acid
ME483494
-
C05584
3.47
-
Xanthine
Xanthine
ME483528
-
C00385
5.36
-
Xanthosine
Xanthosine
ME483437
-
C01762
5.88
-
Xanthurenic acid
Xanthurenic acid
ME483508
-
C02470
5.11
-
Xylitol
Xylitol
ME483543
-
C00379
5.61
-
1,2-DIPALMITOYL-RAC-GLYCERO-3-PHOSPHOETHANOLAMINE
-
ME483496
-
-
4.3
-
Analysis: Normal phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Indole-3-acetamide
1H-Indole-3-acetamide
ME483690
-
C02693
1.63
-
1-Methyladenosine
1-Methyladenosine
ME483570
-
C02494
6.22
-
N-Methylhistamine
1-Methylhistamine
ME483666
-
-
6.71
-
1-methylhistidine
1-Methylhistidine
ME483590
-
C01152
7.52
-
2',3'-Cyclic CMP
2',3' cyclic CMP
ME483660
-
C02354
8.08
-
2-Aminophenol
2-Aminophenol
ME483692
-
C01987
1.79
-
3-(2-Hydroxyphenyl)propionic acid
3-(2-Hydroxyphenyl)propanoic acid
ME483607
-
C01198
1.74
-
cAMP
3',5' cyclic AMP
ME483652
-
C00575
7.82
-
cGMP
3',5' cyclic GMP
ME483680
-
C00942
8.3
-
3-Methoxytyramine
3-Methoxytyramine
ME483626
-
C05587
3.52
-
3-Methyladenine
3-Methyladenine
ME483615
-
C00913
4.78
-
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME483602
-
C01035
5.22
-
Hydroxylysine
5-Hydroxylysine
ME483563
-
C01211
8.28
-
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME483600
-
C00643
6.31
-
5'-Deoxy-5'-(methylthio)adenosine
5'-Methylthioadenosine
ME483581
-
C00170
4.43
-
5-Valerolactone
5-Valerolactone
ME483625
-
C02240
1.77
-
6-Hydroxynicotinic acid
6-Hydroxynicotinic acid
ME483609
-
C01020
4.2
-
Adenine
Adenine
ME483676
-
C00147
4.43
-
Adenosine
Adenosine
ME483642
-
C00212
5.41
-
(+)-a-Tocopherol
alpha-Tocopherol
ME483647
-
C02477
1.15
-
2-Aminoisobutyric acid
Aminoisobutyric acid
ME483659
-
C03665
6.29
-
Adenosine5'-monophosphate
AMP
ME483568
-
C00020
8.64
-
Aniline
Aniline
ME483658
-
C00292
5.05
-
L-Anserine
Anserine
ME483553
-
C01262
7.47
-
Arabinose
Arabinose
ME483567
-
-
6.06
-
L-Arginine
Arginine
ME483679
-
C00062
7.98
-
L-Asparagine
Asparagine
ME483672
-
C00152
7.44
-
L-Aspartic Acid
Aspartic acid
ME483631
-
C00049
7.2
-
Betaine
Betaine
ME483555
-
C00719
6.17
-
Biliverdin IX
Biliverdin
ME483559
-
C00500
4.53
-
D-Biotin
Biotin
ME483644
-
C00120
3.71
-
Caffeine
Caffeine
ME483639
-
C07481
1.69
-
Dodecanoylcarnitine
CAR 12:0
ME483582
-
-
1.79
-
Carnitine
Carnitine
ME483624
-
C00318
4.72
-
Carnosine
Carnosine
ME483586
-
C00386
7.92
-
D-(+)-Cellobiose
Cellobiose
ME483619
-
,
7.83
-
4-Hydroxy-L-proline
cis-4-Hydroxyproline
ME483587
-
C01015
6.96
-
Citrulline
Citrulline
ME483596
-
C00327
7.37
-
Coenzyme Q10
Coenzyme Q10
ME483585
-
C11378
8.74
-
Corticosterone
Corticosterone
ME483610
-
C02140
1.76
-
Cortisol 21-acetate
Cortisol 21-acetate
ME483599
-
C02821
1.77
-
Cortisone
Cortisone
ME483620
-
C00762
1.78
-
Creatine
Creatine
ME483637
-
C00300
6.11
-
Creatinine
Creatinine
ME483651
-
C00791
5.14
-
L-Cystathionine
Cystathionine
ME483635
-
C02291
8.74
-
Cysteic acid
Cysteic acid
ME483608
-
C00506
8.32
-
L-Cystine
Cystine
ME483636
-
C00491
8.94
-
Cytosine
Cytosine
ME483674
-
C00380
5.9
-
Deoxyadenosine monophosphate
dAMP
ME483665
-
C00360
8.46
-
Deoxyadenosine
Deoxyadenosine
ME483693
-
C00559
5.01
-
Deoxycholic acid
Deoxycholic acid
ME483683
-
C04483
1.57
-
desoxycorticosterone acetate
Deoxycorticosterone acetate
ME483629
-
C14554
1.37
-
Diaminopimelic acid
Diaminopimelic acid
ME483640
-
C00666
8.72
-
Dihydrouracil
Dihydrouracil
ME483611
-
C00429
5.8
-
L-Dopa
DOPA
ME483649
-
C00355
6.59
-
(-)-Epinephrine
Epinephrine
ME483616
-
C00788
5.15
-
Folic acid
Folic acid
ME483648
-
C00504
6.02
-
D-Fructose 6-phosphate
Fructose 6-phosphate
ME483664
-
C00275
9.29
-
a-D-Galactose 1-phosphate
Galactose 1-phosphate
ME483578
-
C00446
9.75
-
Glucosamine
Glucosamine
ME483591
-
C00329
7.45
-
Glucosaminic acid
Glucosaminic acid
ME483594
-
C03752
8.3
-
L-Glutamate
Glutamic acid
ME483633
-
C00025
6.88
-
Glutamine
Glutamine
ME483632
-
C00064
7.24
-
Glutathione
Glutathione
ME483671
-
C00051
7.14
-
Glycocholic Acid
Glycocholic acid
ME483604
-
C01921
4.58
-
Guanidinosuccinic Acid
Guanidinosuccinic acid
ME483654
-
C03139
6.36
-
Guanidineacetic acid
Guanidoacetic acid
ME483593
-
C00581
6.28
-
Guanine
Guanine
ME483678
-
C00242
6.1
-
Guanosine
Guanosine
ME483560
-
C00387
6.43
-
Hippuric acid
Hippuric acid
ME483606
-
C01586
1.71
-
Histamine
Histamine
ME483617
-
C00388
7.17
-
L-Histidine
Histidine
ME483673
-
C00135
7.88
-
Homocystine
Homocystine
ME483601
-
C01817
8.31
-
DL-Homoserine
Homoserine
ME483574
-
C00263
6.78
-
Hypotaurine
Hypotaurine
ME483583
-
C00519
7.27
-
Hypoxanthine
Hypoxanthine
ME483668
-
C00262
5.15
-
Indole-3-methyl acetate
Indole-3-methyl acetate
ME483573
-
-
1.76
-
3-Indoleacetic Acid
Indoleacetic acid
ME483689
-
C00954
1.7
-
3-(3-Indolyl)-2-oxopropanoic acid
Indolepyruvate
ME483597
-
C00331
1.64
-
Inosine
Inosine
ME483643
-
C00294
5.79
-
L-Isoleucine
Isoleucine
ME483677
-
C00407
5.64
-
Kynurenic acid
Kynurenic acid
ME483605
-
C01717
5.04
-
Kynurenine
Kynurenine
ME483592
-
C00328
5.91
-
L-Lysine
Lysine
ME483634
-
C00047
7.86
-
D-Mannose 6-phosphate
Mannose 6-phosphate
ME483595
-
C00085
9.45
-
Melatonin
Melatonin
ME483682
-
C01598
1.75
-
Melibiose
Melibiose
ME483641
-
C05402
8.29
-
L-Methionine
Methionine
ME483661
-
C00073
5.66
-
L-Methionine sulfoximine
Methionine sulfoximine
ME483571
-
C03510
7.49
-
Acetyllysine
N(2)-Acetyllysine
ME483575
-
C12989
6.11
-
N6-(DELTA2-ISOPENTENYL)-ADENINE
N6-Isopentenyladenine
ME483579
-
-
1.77
-
Ne,Ne,Ne-Trimethyllysine
N-6-Trimethyllysine
ME483627
-
C03793
7.3
-
N-ALPHA-ACETYL-L-ASPARAGINE
N-Acetylasparagine
ME483598
-
-
4.91
-
N-Acetyl-L-glutamic acid
N-Acetyl-mannosamine
ME483561
-
C00624
4.43
-
N-Acetylneuraminic Acid
N-Acetylneuraminic acid
ME483562
-
C00270
6.99
-
N-Acetyl-DL-tryptophan
N-Acetyl-tryptophan
ME483688
-
-
3.48
-
Nicotinamide adenine dinucleotide (NAD)
NAD
ME483623
-
C00003
9.61
-
Niacinamide
Niacinamide
ME483696
-
C00153
3.49
-
Nitrotyrosine
Nitrotyrosine
ME483656
-
-
5.89
-
N-Methyl-L-glutamate
N-Methyl-glutamic acid
ME483667
-
C01046
6.55
-
N,N-Dimethyl-1,4-phenylenediamine
N,N-Dimethyl-1,4-phenylenediamine
ME483698
-
C04203
1.77
-
L-Norleucine
Norleucine
ME483589
-
C01933
5.24
-
L-Ornithine
Ornithine
ME483588
-
C00077
8.02
-
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME483569
-
C01118
6.47
-
Pantothenic Acid
Pantothenic acid
ME483564
-
C00864
3.99
-
Paraxanthine
Paraxanthine
ME483653
-
C13747
3.52
-
L-Phenylalanine
Phenylalanine
ME483663
-
C00079
6.04
-
phosphoenol pyruvate
Phosphoenolpyruvic acid
ME483565
-
C00074
8.39
-
Phylloquinone
Phylloquinone
ME483685
-
C02059
1.78
-
Pimelic acid
Pimelic acid
ME483558
-
C02656
1.75
-
DL-pipecolic acid
Pipecolic acid
ME483622
-
C00408
6.36
-
Pterine
Pterin
ME483577
-
C00715
5.31
-
Pyridoxamine
Pyridoxamine
ME483687
-
C00534
6.62
-
Pyroglutamic acid
Pyroglutamic acid
ME483695
-
C01879
4.13
-
Quinoline
Quinoline
ME483691
-
C06413
1.78
-
Raffinose
Raffinose
ME483614
-
C00492
8.6
-
Retinoic acid
Retinoic acid
ME483584
-
C00777
1.38
-
Riboflavin (Vitamin B2)
Riboflavin
ME483684
-
C00255
5.77
-
D-Ribose
Ribose
ME483613
-
C00121
4.89
-
Rosmarinic Acid
Rosmarinic acid
ME483576
-
C01850
4.18
-
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME483694
-
C00021
7.63
-
Sarcosine
Sarcosine
ME483556
-
C00213
6.12
-
S-(Carboxymethyl)-L-cysteine
S-Carboxymethyl-cysteine
ME483662
-
C03727
6.97
-
L-Serine
Serine
ME483628
-
C00065
7.3
-
Serotonin
Serotonin
ME483612
-
C00780
4.71
-
Hexylglutathione
S-Hexyl-glutathione
ME483580
-
C02886
5.81
-
SPHINGOMYELIN
SM 18:1;O2/18:0
ME483686
-
-
4.79
-
Stachyose
Stachyose
ME483603
-
C01613
9.41
-
Sucrose
Sucrose
ME483638
-
C00089
7.66
-
Taurine
Taurine
ME483554
-
C00245
6.83
-
Thiamine monophosphate
Thiamine monophosphate
ME483621
-
C01081
8.38
-
a,a-Trehalose
Trehalose
ME483697
-
C01083
8.08
-
Tryptamine
Tryptamine
ME483655
-
C00398
1.58
-
L-Tryptophan
Tryptophan
ME483675
-
C00078
5.78
-
Tyramine
Tyramine
ME483618
-
C00483
3.35
-
L-Tyrosine
Tyrosine
ME483650
-
C00082
6.3
-
Uridine monophosphate (UMP)
UMP
ME483645
-
C00105
9.17
-
Uric acid
Uric acid
ME483670
-
C00366
6.66
-
Xanthine
Xanthine
ME483669
-
C00385
5.49
-
Xanthosine
Xanthosine
ME483566
-
C01762
6
-
Xanthurenic acid
Xanthurenic acid
ME483646
-
C02470
5.1
-
1,2-DIPALMITOYL-RAC-GLYCERO-3-PHOSPHOETHANOLAMINE
-
ME483630
-
-
4.2
-
3-Carboxypropyl trimethylammonium
-
ME483657
-
-
3.47
-
L-?-PHOSPHATIDYLCHOLINE
-
ME483681
-
-
4.41
-
MG(18:1(9Z)/0:0/0:0)[rac]
-
ME483557
-
-
1.74
-
S-(5-ADENOSYL)-L-METHIONINE
-
ME483572
-
-
8.26
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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