Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST000953 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME236173
535
-
0.77
102.0550
4-AMINOBUTANOATE (GABA)_R1
gamma-Aminobutyric acid
ME236155
119
-
0.92
104.0707
4-AMINOBUTANOATE (GABA)_R2
gamma-Aminobutyric acid
ME236156
119
-
0.80
104.0707
Choline
Choline
ME236007
305
-
0.84
104.107
L-SERINE
Serine
ME236080
5951
-
0.70
106.0498
CYTOSINE_R1
Cytosine
ME236021
597
-
0.86
112.0504
CYTOSINE_R2
Cytosine
ME236022
597
-
1.04
112.0504
Isocytosine
2-Amino-4-hydroxypyrimidine
ME236053
66950
-
1.58
112.0504
HISTAMINE
Histamine
ME236048
774
-
0.62
112.0868
URACIL
Uracil
ME236135
1174
-
1.38
113.0345
GLYCEROL
Glycerol
ME236040
753
-
0.77
115.0381
5,6-DIHYDROURACIL
Dihydrouracil
ME236161
649
-
1.33
115.0500
L-PROLINE
Proline
ME236079
145742
-
0.88
116.0704
GUANIDINOACETATE
Guanidoacetic acid
ME236044
763
-
0.80
118.0605
Source Fragment TRP
-
ME236121
-
-
7.68
118.0650
Anthranilate
2-Aminobenzoic acid
ME235995
227
-
8.67
120.0441
THREONINE/HOMOSERINE
Threonine/Homoserine
ME236127
-
-
0.73
120.0652
Phenylalanine-HCOOH
-
ME236106
-
-
6.32
120.0805
L-CYSTEINE
Cysteine
ME236065
5862
-
0.76
122.0268
NICOTINAMIDE
Niacinamide
ME236098
936
-
1.60
123.0551
PICOLINIC ACID
Picolinic acid
ME236110
1018
-
1.33
124.0388
TAURINE
Taurine
ME236125
1123
-
0.72
126.0217
5-Hydroxymethyl-2-furaldehyde
5-Hydroxymethyl-2-furancarboxaldehyde
ME236152
237332
-
0.76
127.0386
THYMINE
Thymine
ME236128
1135
-
3.29
127.0492
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME236160
96215
-
0.97
127.0498
Citrate source fragment (+H and + NH3)
-
ME236008
-
-
1.94
129.0192
5-OXO-L-PROLINE
Pyroglutamic acid
ME236154
7405
-
1.81
130.0495
PIPECOLATE/L-PIPECOLIC ACID_R1
Pipecolic acid
ME236111
439227
-
1.22
130.0859
PIPECOLATE/L-PIPECOLIC ACID_R2
Pipecolic acid
ME236112
439227
-
1.28
130.0859
2-hydroxyglutarate-water_R1
-
ME236166
-
-
1.54
131.0335
2-hydroxyglutarate-water_R2
-
ME236167
-
-
1.61
131.0336
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME236091
122356
-
1.11
131.1174
AGMATINE SULFATE
Agmatine
ME235988
199
-
0.67
131.1287
5-AMINOLEVULINIC ACID_R1
5-Amino-levulinic acid
ME236145
137
-
0.74
132.0650
5-AMINOLEVULINIC ACID_R2
5-Amino-levulinic acid
ME236146
137
-
0.84
132.0650
5-AMINOLEVULINIC ACID_R3
5-Amino-levulinic acid
ME236147
137
-
0.98
132.0650
CREATINE
Creatine
ME236015
586
-
1.00
132.0764
N-BOC-L-tert-Leucine
-
ME236095
2734668
-
10.91
132.1014
L-Isoleucine
Isoleucine
ME236071
6306
-
2.22
132.1015
L-LEUCINE
Leucine
ME236075
857
-
2.53
132.1015
L-ASPARAGINE
Asparagine
ME236061
6267
-
0.71
133.0606
3-UREIDOPROPIONATE
Ureidopropionic acid
ME236163
111
-
1.24
133.0611
ORNITHINE
Ornithine
ME236101
6262
-
0.63
133.0967
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME236093
-
-
-
134.0443
ASPARTATE_R1
Aspartic acid
ME235996
5960
-
0.72
134.0444
ASPARTATE_R2
Aspartic acid
ME235997
5960
-
0.85
134.0444
Creatine-D3_R1
Creatine
ME236016
-
-
0.90
135.0951
Allopurinol
Allopurinol
ME235993
2094
-
6.15
137.0453
HYPOXANTHINE
Hypoxanthine
ME236049
790
-
2.01
137.0453
Trigonelline
Trigonelline
ME236129
5570
-
0.94
138.0536
TYRAMINE
Tyramine
ME236134
5610
-
4.48
138.0908
L-Leucine 13C6
Leucine
ME236076
-
-
2.54
138.1215
N-ACETYLGLYCINE
N-Acetylglycine
ME236087
10972
-
1.19
140.0313
SUCCINATE
Succinic acid
ME236124
1110
-
2.30
141.0151
ETHANOLAMINE PHOSPHATE
Phosphoethanolamine
ME236031
1015
-
0.70
142.0258
L-ALLOTHREONINE
Allothreonine
ME236059
99289
-
0.73
142.0472
Stachydrine
Stachydrine
ME236122
115244
-
1.04
144.1014
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME236157
500
-
1.59
146.0918
BUTYROBETAINE
3-Dehydroxycarnitine
ME236001
725
C01181
1.27
146.1170
L-GLUTAMINE
Glutamine
ME236069
5961
-
0.73
147.0757
L-LYSINE
Lysine
ME236077
5962
-
0.63
147.1122
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME236100
22880
-
0.76
148.0599
N-ACETYL-DL-SERINE
N-Acetylserine
ME236086
352294
-
1.08
148.0600
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME236164
43
-
1.55
149.0434
L-METHIONINE
Methionine
ME236078
6137
-
1.40
150.0576
Acetaminophen/Paracetamol_R1
Acetaminophen
ME235985
1983
-
7.06
152.0697
2-Phenylglycine
2-Phenylglycine
ME236168
3866
-
7.83
152.0699
Acetaminophen/Paracetamol_R2
Acetaminophen
ME235986
1983
-
7.11
152.0699
DOPAMINE
Dopamine
ME236028
681
-
2.87
154.0851
GLUTARATE
Glutaric acid
ME236039
743
-
4.67
155.0308
L-HISTIDINE
Histidine
ME236070
6274
-
0.69
156.0762
(R)-MALATE
D-Malic acid
ME236170
92824
-
1.12
157.0104
Citrate source fragment (+NH3)_R2
-
ME236010
-
-
1.93
157.0127
Creatine-D3_R2
Creatine
ME236017
-
-
0.90
157.0772
ALLANTOIN
Allantoin
ME235992
204
-
0.82
159.0506
SEROTONIN-NH3
Serotonin
ME236119
5202
-
6.91
160.0751
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME235994
-
-
0.90
162.0756
L-CARNITINE
Carnitine
ME236062
10917
-
0.96
162.1117
DL-5-HYDROXYLYSINE
5-Hydroxylysine
ME236027
1029
-
0.63
163.1070
(S)-NICOTINE
Nicotine
ME236171
89594
-
5.87
163.1223
Methionine Sulfoxide
Methionine sulfoxide
ME236081
847
-
0.78
166.0526
Phenylalanine
Phenylalanine
ME236105
6140
-
6.29
166.0854
BOC-D-Phenylalanine_R1
-
ME235998
-
-
11.46
166.0856
4-HYDROXY-L-PHENYLGLYCINE_R1
4-Hydroxyphenylglycine
ME236158
36143
-
0.96
168.0641
4-HYDROXY-L-PHENYLGLYCINE_R2
4-Hydroxyphenylglycine
ME236159
36143
-
0.77
168.0642
PYRIDOXAL
Pyridoxal
ME236115
1050
-
1.87
168.0643
PHOSPHO(ENOL)PYRUVIC ACID
Phosphoenolpyruvic acid
ME236107
1005
-
0.99
168.9890
URATE
Uric acid
ME236136
1175
-
1.81
169.0347
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME236083
64969
-
0.72
170.0916
2-hydroxyglutarate+Na
2-Hydroxyglutaric acid
ME236165
-
-
1.54
171.0257
SN-GLYCEROL 3-PHOSPHATE
sn-Glycero-3-phosphate
ME236120
439162
-
0.74
173.0204
D-Ribose
Ribose
ME236029
10975657
-
0.84
173.0414
ALDOPENTOSE
Aldopentose
ME235991
-
-
0.91
173.0418
6-Quinolincarboxylic Acid
1-Nitronaphthalene
ME236143
6849
-
7.96
174.0543
Citrate source fragment (+NH3)_R1
-
ME236009
-
-
1.93
175.0230
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME236003
-
-
0.71
175.0574
L-ARGININE
Arginine
ME236060
6322
-
0.70
175.1182
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME236089
65065
-
1.46
176.0545
CITRULLINE
Citrulline
ME236013
9750
-
0.78
176.1024
SEROTONIN_R1
Serotonin
ME236117
5202
-
6.84
177.1015
SEROTONIN_R2
Serotonin
ME236118
5202
-
6.92
177.1015
GLUCOSAMINE/MANNOSAMINE
-
ME236037
-
-
0.74
180.0860
BOC-L-Tyrosine
Tyrosine
ME236000
117439
-
-
182.0804
PHOSPHOCHOLINE_R2
Choline phosphate
ME236109
1014
-
0.91
184.0719
PHOSPHOCHOLINE_R1
Choline phosphate
ME236108
1014
-
0.73
184.0726
6-DEOXY-HEXOSE_R1
-
ME236141
-
-
0.95
187.0568
6-DEOXY-HEXOSE_R2
-
ME236142
-
-
0.87
187.0569
Tryptophan-NH3
Tryptophan
ME236133
-
-
7.69
188.0698
N-ALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME236092
92907
-
1.06
189.1223
Glycyl-L-leucine
Gly-Leu
ME236043
92843
-
6.51
189.1224
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME236097
440120
-
0.71
189.1588
Kynurenic Acid
Kynurenic acid
ME236054
3845
-
7.76
190.0491
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME236085
185
-
2.20
190.0701
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME236132
-
-
7.68
191.0889
LL-2,6-DIAMINOHEPTANEDIOATE_R1
2,6-Diaminopimelic acid
ME236073
439283
-
0.69
191.1015
LL-2,6-DIAMINOHEPTANEDIOATE_R2
2,6-Diaminopimelic acid
ME236074
439283
-
0.83
191.1017
5-hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME236148
1826
-
6.53
192.0646
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME236169
6047
-
2.32
198.0749
Caffeine-D3
Caffeine
ME236004
13001298
-
7.92
198.1057
D-(+)-GALACTOSAMINE
Galactosamine
ME236023
24154
-
0.68
202.0677
ALDO/KETO-HEXOSE
Hexose
ME235990
-
-
0.74
203.0516
6C-SUGAR ALCOHOL
-
ME236140
-
-
0.74
205.0672
N-BOC-L-Tryptophan
Tryptophan
ME236096
83169
-
-
205.0963
Tryptophan
Tryptophan
ME236130
6305
-
7.69
205.0964
Xanthurenic Acid
Xanthurenic acid
ME236139
5699
-
7.52
206.0440
Tryptophan-2,3,3-D3
Tryptophan
ME236131
-
-
7.69
208.1152
Formyl-5-hydroxykynurenamine
Formyl-5-hydroxykynurenamine
ME236032
440743
-
11.17
209.0910
L-KYNURENINE
Kynurenine
ME236072
161166
-
6.54
209.0911
Citrate+NH3
Citric acid
ME236012
-
-
1.93
210.0599
ISOCITRIC ACID_R1
Isocitric acid
ME236051
1198
-
1.06
215.0151
ISOCITRIC ACID_R2
Isocitric acid
ME236052
1198
-
1.20
215.0151
Citrate+Na
Citric acid
ME236011
-
-
1.93
215.0152
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME236082
94214
-
1.03
217.0665
N-Acetyl-Arginine
N-Acetylarginine
ME236084
67427
-
1.58
217.1286
Proprionylcarnitine
CAR DC3:0
ME236113
107738
-
6.75
218.1378
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE_R1
Gluconic acid/Gulonolactone
ME236035
-
-
0.76
219.0466
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE_R2
Gluconic acid/Gulonolactone
ME236036
-
-
0.90
219.0469
Pantothenic Acid
Pantothenic acid
ME236103
6613
-
6.67
220.1170
5-HYDROXY-L-TRYPTOPHAN_R2
5-Hydroxy-tryptophan
ME236150
144
-
6.73
221.0907
5-HYDROXY-L-TRYPTOPHAN_R1
5-Hydroxy-tryptophan
ME236149
144
-
6.82
221.0908
5-HYDROXY-L-TRYPTOPHAN_R3
5-Hydroxy-tryptophan
ME236151
144
-
6.91
221.0911
L-CYSTATHIONINE_R2
Cystathionine
ME236064
439258
-
0.85
223.0734
L-CYSTATHIONINE_R1
Cystathionine
ME236063
439258
-
0.69
223.0735
3-HYDROXYKYNURENINE
Hydroxykynurenine
ME236162
89
-
3.19
225.0858
7-(b-Hydroxyethyl)theophylline
-
ME236144
1892
-
7.79
225.0980
CARNOSINE_R2
Carnosine
ME236006
439224
-
0.84
227.1126
CARNOSINE_R1
Carnosine
ME236005
439224
-
0.71
227.1127
Leu Pro_R1
Leu-Pro
ME236067
-
-
7.30
229.1536
Leu Pro_R2
Leu-Pro
ME236068
-
-
7.17
229.1536
Ergothioneine
Ergothioneine
ME236030
5351619
-
1.09
231.0993
Butyrylcarnitine
CAR 4:0
ME236002
213144
-
7.49
232.1530
Isobutyrylcarnitine
CAR 3:0;2Me
ME236050
10177002
-
7.41
232.1530
Formylkynurenine_R1
N-Formyl-L-kynurenine
ME236033
910
-
10.71
237.0859
Formylkynurenine_R2
N-Formyl-L-kynurenine
ME236034
910
-
10.63
237.0860
L-Cystine
Cystine
ME236066
67678
-
0.69
241.0303
N-ACETYL-HEXOSAMINE
N-Acetylhexosamine
ME236088
-
-
0.85
244.0778
CYTIDINE
Cytidine
ME236018
6175
-
1.58
244.0919
5-Hydroxy-N-formylkynurenine
5-Hydroxy-N-formylkynurenine
ME236153
440744
-
11.17
253.0810
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME236094
-
-
-
256.0779
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME236041
71920
-
0.77
258.1089
D-GLUCOSAMINE 6-PHOSPHATE
Glucosamine 6-phosphate
ME236025
440997
-
0.73
260.0517
HEXOSE-6-PHOSPHATE
Hexose 6-phosphate
ME236045
-
-
0.74
261.0356
PEG n5
Pentaethylene glycol
ME236104
62551
-
7.09
261.1297
THIAMINE
Thiamine
ME236126
1130
C00378
1.32
265.1105
URIDINE
Uridine
ME236137
6029
-
2.81
267.0575
ADENOSINE
Adenosine
ME235987
60961
-
5.67
268.1027
GLUCOSE/FRUCTOSE-PHOSPHATE
-
ME236038
-
-
0.75
283.0173
BOC-D-Phenylalanine_R2
-
ME235999
-
-
11.46
288.1192
CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE
2',3' cyclic CMP
ME236019
53481030
-
1.08
306.0471
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME236090
439197
-
0.82
310.1116
CMP
CMP
ME236014
6131
-
1.04
324.0575
URIDINE-5-MONOPHOSPHATE
UMP
ME236138
6030
-
1.23
325.0415
NICOTINAMIDE MONONUCLEOTIDE
Nicotinamide ribotide
ME236099
14180
-
1.08
335.0622
Lactose
Lactose
ME236057
84571
-
0.79
343.1216
HEXOSE-DISACCHARIDE_R1
Hexose disaccharide
ME236046
-
-
0.80
365.1035
HEXOSE-DISACCHARIDE_R2
Hexose disaccharide
ME236047
-
-
0.87
365.1036
RIBOFLAVIN
Riboflavin
ME236116
493570
-
8.02
377.1438
Lactose+K
Lactose
ME236058
-
-
0.80
381.0774
CYTIDINE 5'-DIPHOSPHOCHOLINE
CDP-choline
ME236020
13804
-
0.90
489.1125
D-(+)-RAFFINOSE
Raffinose
ME236024
439242
-
0.87
527.1557
STACHYOSE
Stachyose
ME236123
439531
-
0.94
689.2084
Dimer of Lactose
-
ME236026
-
-
0.79
707.2189
1,3-DIAMINOPROPANE
1,3-Diaminopropane
ME236172
428
-
0.59
75.0920
GLYCINE
Glycine
ME236042
750
-
0.71
76.0397
PUTRESCINE
Putrescine
ME236114
1045
-
0.60
89.1076
ALANINE/SARCOSINE
Alanine/Sarcosine
ME235989
-
-
0.74
90.0551
L-(+)-Lactic Acid_R1
Lactic acid
ME236055
612
-
0.79
91.0391
L-(+)-Lactic Acid_R2
Lactic acid
ME236056
612
-
0.94
91.0392
Orthophosphate
Phosphoric acid
ME236102
1061
-
0.77
98.9842
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-SERINE
Serine
ME236258
5951
-
0.68
104.0347
GLYCERIC ACID
Glyceric acid
ME236231
439194
-
0.81
105.018
Uracil
Uracil
ME236309
1174
-
1.31
111.0197
Proline
Proline
ME236291
145742
C16435
0.86
114.0554
Fumaric Acid_R1
Fumaric acid
ME236223
-
C00122
2
115.003
Fumaric Acid_R2
Fumaric acid
ME236224
-
C00122
1.95
115.003
N-ACETYLGLYCINE
N-Acetylglycine
ME236271
10972
-
1.2
116.0347
L-VALINE
Valine
ME236261
6287
-
1.11
116.071
SUCCINATE
Succinic acid
ME236300
1110
-
2.28
117.0187
THREONINE/HOMOSERINE
Threonine/Homoserine
ME236306
-
-
0.72
118.0505
L-CYSTEINE
Cysteine
ME236247
5862
-
0.86
120.0121
Succinic-2,2,3,3-D4 Acid
-
ME236301
-
-
2.25
121.0439
NICOTINATE
Nicotinic acid
ME236285
938
-
1.39
122.0241
PICOLINIC ACID
Picolinic acid
ME236290
1018
-
1.34
122.0242
Sulfoacetaldehyde_R1
Sulfoacetaldehyde
ME236302
160226
-
0.71
122.9754
Sulfoacetaldehyde_R2
Sulfoacetaldehyde
ME236303
160226
-
0.76
122.9754
TAURINE
Taurine
ME236305
1123
-
0.68
124.0067
N-ACETYL-L-ALANINE
N-Acetylalanine
ME236273
88064
-
2.22
130.0503
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME236188
137
-
0.8
130.0504
LEUCINE_R1
Leucine
ME236248
857
-
2.5
130.0867
LEUCINE_R2
Leucine
ME236249
857
-
2.7
130.0867
L-ISOLEUCINE
Isoleucine
ME236253
6306
-
2.24
130.0867
GLUTARATE
Glutaric acid
ME236228
743
-
4.68
131.0348
3-UREIDOPROPIONATE
Ureidopropionic acid
ME236185
111
-
1.23
131.0457
ASPARAGINE
Asparagine
ME236198
6267
-
0.7
131.0457
6-Hydroxycaproic acid_R1
6-Hydroxycaproic acid
ME236190
14490
-
7.94
131.071
6-Hydroxycaproic acid_R2
6-Hydroxycaproic acid
ME236191
14490
-
7.87
131.071
6-Hydroxycaproic acid_R3
6-Hydroxycaproic acid
ME236192
14490
-
7.8
131.0711
ASPARTATE
Aspartic acid
ME236199
83887
-
0.74
132.0299
MALATE
Malic acid
ME236265
92824
-
1.08
133.0139
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME236174
21933884
-
1.39
133.0502
Creatine-D3
Creatine
ME236210
-
-
0.9
133.0805
HOMOCYSTEINE
Homocysteine
ME236235
778
-
0.9
134.0279
2-AMINOETHYL DIHYDROGEN PHOSPHATE_R2
Phosphoethanolamine
ME236176
1015
-
0.82
140.0111
2-AMINOETHYL DIHYDROGEN PHOSPHATE_R1
Phosphoethanolamine
ME236175
1015
-
0.7
140.0112
Salicylic Acid-D4
Salicylic acid
ME236294
46782907
-
10
141.049
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME236186
18189
-
3.75
144.0659
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME236187
500
-
1.58
144.0773
L-GLUTAMINE
Glutamine
ME236251
5961
-
0.73
145.0613
L-LYSINE
Lysine
ME236255
5962
-
0.67
145.0977
N-ACETYL-DL-SERINE
N-Acetylserine
ME236269
352294
-
1.02
146.0451
L-GLUTAMIC ACID
Glutamic acid
ME236250
33032
-
0.76
146.0453
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME236177
43
-
1.53
147.0294
CITRAMALATE
Citramalic acid
ME236206
1081
-
2.23
147.0294
L-METHIONINE
Methionine
ME236256
6137
-
1.39
148.0432
TARTARIC ACID
Tartaric acid
ME236304
444305
-
0.82
149.0085
ALDOPENTOSE
Aldopentose
ME236194
-
-
0.79
149.0455
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME236203
-
-
0.76
151.0606
3-SULFINO-L-ALANINE_R2
3-Sulfino-alanine
ME236184
1549098
-
0.81
152.0017
3-SULFINO-L-ALANINE_R1
3-Sulfino-alanine
ME236183
1549098
-
0.75
152.0018
DOPAMINE
Dopamine
ME236217
681
-
2.85
152.0709
L-HISTIDINE
Histidine
ME236252
6274
-
0.69
154.0616
N-BOC-L-tert-Leucine_R1
-
ME236279
-
-
10.88
156.066
ALLANTOIN
Allantoin
ME236195
204
-
0.81
157.0361
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME236278
-
-
-
158.0088
3-methyladipic acid
3-Methyladipic acid
ME236182
12292
-
7.88
159.0662
N-METHYL-L-GLUTAMATE_R1
N-Methyl-glutamic acid
ME236286
439377
-
0.91
160.0608
N-METHYL-L-GLUTAMATE_R2
N-Methyl-glutamic acid
ME236287
439377
-
0.84
160.0616
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME236180
1662
-
3.01
161.0449
URATE_R2
Uric acid
ME236311
1175
-
1.98
167.0201
URATE_R1
Uric acid
ME236310
1175
-
1.81
167.0203
L-CYSTEIC ACID
Cysteic acid
ME236246
72886
-
0.73
167.9966
NORADRENALINE
Xi-Norepinephrine
ME236288
439260
-
0.99
168.0659
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME236214
668
-
0.73
168.99
L-Phenylalanine-13C6
Phenylalanine
ME236257
71309396
-
6.27
170.0912
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME236232
-
-
0.73
171.0055
ASCORBIC ACID-2H
Vitamin C
ME236197
54670067
-
0.89
173.0091
SHIKIMATE
Shikimic acid
ME236297
8742
-
1.07
173.0457
SUBERIC ACID
Suberic acid
ME236299
10457
-
7.74
173.0812
L-ARGININE
Arginine
ME236242
6322
-
0.69
173.1037
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME236274
65065
-
1.48
174.0408
CITRULLINE
Citrulline
ME236208
9750
-
0.78
174.0866
SEROTONIN
Serotonin
ME236296
5202
-
6.92
175.0866
N-formyl-L-methionine
N-Formylmethionine
ME236283
439750
-
6.97
176.0381
D-MANNOSAMINE
2-Amino-2-deoxy-D-mannose
ME236216
440049
-
0.68
178.0714
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME236204
-
-
0.73
179.0554
L-TYROSINE
Tyrosine
ME236259
6057
-
3.38
180.0659
Mannitol
Mannitol
ME236266
6251
-
0.72
181.0707
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME236238
439278
-
0.88
184.984
Xylenesulfonate
-
ME236315
11868
-
8.24
185.0269
L-Tyrosine-13C6
Tyrosine
ME236260
12144755
-
3.38
186.0859
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME236276
92907
-
1.27
187.108
Kynurenic Acid
Kynurenic acid
ME236237
3845
-
7.74
188.0345
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME236268
185
-
2.19
188.0557
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME236254
439283
-
0.84
189.0874
ISOCITRIC ACID
Isocitric acid
ME236236
1198
-
1.13
191.0189
CITRATE
Citric acid
ME236207
311
-
1.92
191.019
QUINATE
Quinic acid
ME236293
6508
-
0.84
191.0552
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME236213
-
-
0.77
193.0346
FERULATE
trans-Ferulic acid
ME236222
445858
-
8.47
193.0491
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME236267
94214
-
1.04
193.0705
2-Hydroxyhippuric acid
Salicyluric acid
ME236178
10253
-
7.3
194.0452
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME236225
-
-
0.76
195.0503
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME236179
6047
-
2.33
196.061
L-CARNITINE_R1
Carnitine
ME236243
10917
-
1.14
196.0721
L-CARNITINE_R2
Carnitine
ME236244
10917
-
1.02
196.0725
Erythrose 4-Phosphate
Erythrose 4-phosphate
ME236221
122357
C00279
0.75
198.9994
LACTATE-dimer
-
ME236240
-
-
1.23
201.0369
Tryptophan
Tryptophan
ME236307
6305
-
7.67
203.0819
Xanthurenic Acid
Xanthurenic acid
ME236314
5699
-
7.5
204.0294
BOC-L-Tyrosine_R1
Tyrosine
ME236200
-
-
-
206.045
Tryptophan-2,3,3-D3
Tryptophan
ME236308
-
-
7.67
206.1005
D-SACCHARIC ACID
Glucaric acid
ME236219
33037
-
0.73
209.0295
3-METHOXY-L-TYROSINE
3-Methoxytyrosine
ME236181
9307
-
6.02
210.0769
GLUCOSE/FRUCTOSE_R1
Hexose
ME236226
-
C00293/C01496
0.74
215.032
GLUCOSE/FRUCTOSE_R2
Hexose
ME236227
5793
-
0.74
217.0292
Pantothenic Acid
Pantothenic acid
ME236289
6613
-
6.64
218.1024
5-HYDROXY-L-TRYPTOPHAN
5-Hydroxy-tryptophan
ME236189
144
-
6.85
219.0766
N-ACETYL-HEXOSAMINE
N-Acetylhexosamine
ME236272
-
-
0.83
220.0817
L-CYSTATHIONINE
Cystathionine
ME236245
439258
-
0.7
221.0593
Vanilloylglycine
Vanilloylglycine
ME236313
3083688
-
7.71
224.0552
CARNOSINE
Carnosine
ME236205
439224
-
0.71
225.0985
D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE
Ribose
ME236218
-
-
0.72
229.0108
N-BOC-L-Tryptophan_R2
Tryptophan
ME236282
-
-
-
229.0608
N-BOC-L-tert-Leucine_R2
-
ME236280
-
-
10.88
230.1388
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME236277
-
-
-
232.0816
L-ANSERINE
Anserine
ME236241
112072
-
0.84
239.1139
URIDINE
Uridine
ME236312
6029
-
2.79
243.0611
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME236270
439281
-
0.8
256.0585
D-GLUCOSAMINE 6-PHOSPHATE
Glucosamine 6-phosphate
ME236212
440997
-
0.72
258.0375
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME236193
91493
-
0.88
275.0198
BOC-L-Tyrosine_R2
Tyrosine
ME236201
-
-
-
280.1179
Guanosine
Guanosine
ME236234
6802
-
6.26
282.083
Eicosapentaenoic Acid
Eicosapentaenoic acid
ME236220
446284
-
15.29
301.2161
N-BOC-L-Tryptophan_R1
Tryptophan
ME236281
-
-
-
303.1337
Arachidonic Acid (20:4)
Arachidonic acid
ME236196
444899
-
15.92
303.2318
CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE
2',3' cyclic CMP
ME236211
53481030
-
1.07
304.0331
GLUTATHIONE
Glutathione
ME236229
124886
-
1.58
306.0753
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME236275
439197
-
0.81
308.0957
CMP
CMP
ME236209
6131
-
1.04
322.0432
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME236202
-
-
0.82
341.1075
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose
-
ME236215
-
-
0.79
377.0841
Nicotinamide ribotide
Nicotinamide ribotide
ME236284
14180
-
1.09
379.0522
LysoPE (16:0)
LPE 16:0
ME236263
-
-
13.48
452.2762
LysoPE (18:1)
LPE 18:1
ME236264
-
-
13.46
478.2919
LysoPC (18:1)
LPC 18:1
ME236262
-
-
13.75
566.3438
STACHYOSE
Stachyose
ME236298
439531
-
0.99
665.2121
GLYCOLATE
Glycolic acid
ME236233
757
-
0.87
75.0079
Pyruvate
Pyruvic acid
ME236292
107735
-
0.97
87.008
SARCOSINE/BETA-ALANINE
-
ME236295
-
-
0.74
88.0396
Glyceraldehyde
Glyceraldehyde
ME236230
751
C02154
0.72
89.0236
LACTATE
Lactic acid
ME236239
612
-
1.22
89.0236
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel