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Return to study ST000746 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
4-METHYL-2-OXOPENTANOATE
Ketoleucine
ME206967
70
-
4.746
130.0634
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME206966
126
-
4.907
122.036
ADIPIC ACID
Adipic acid
ME206971
196
-
3.53
146.0571
CITRIC ACID
Citric acid
ME206975
311
-
0.985
192.0271
HIPPURIC ACID
Hippuric acid
ME206983
464
-
4.768
179.0579
3-INDOLEACETIC ACID
Indoleacetic acid
ME206965
802
-
6.824
175.0628
ITACONIC ACID
Itaconic acid
ME206985
811
-
0.953
130.0268
PHENYLACETIC ACID
Phenylacetic acid
ME207000
999
-
3.777
136.0522
PYRUVIC ACID
Pyruvic acid
ME207001
1060
-
0.883
88.0157
N-ACETYLGLYCINE
N-Acetylglycine
ME206995
1097
-
0.921
117.0415
SUCCINATE
Succinic acid
ME207008
1110
-
1.292
118.0271
URIC ACID
Uric acid
ME207012
1175
-
0.998
168.0286
XANTHINE
Xanthine
ME207016
1188
-
1.267
152.0334
3-HYDROXY-3-METHYL-GLUTARIC ACID
3-Hydroxymethylglutaric acid
ME206964
1662
-
1.592
162.0522
STEARIC ACID
Stearic acid
ME207007
5281
-
23.172
284.2721
CORTICOSTERONE
Corticosterone
ME206976
5753
-
15.341
346.2148
THYMIDINE
Thymidine
ME207009
5789
-
2.716
242.0904
GLUTAMINE
Glutamine
ME206982
5961
-
0.663
146.0681
URIDINE (M-H)
Uridine
ME207013
6029
-
1.327
244.0692
EDTA
Edetic acid
ME206980
6049
-
0.815
292.0917
TYROSINE
Tyrosine
ME207011
6057
-
1.301
181.0733
2-AMINO-4-METHYLPENTANOIC ACID (LEUCINE)
Leucine
ME206963
6106
-
1.581
131.0946
METHIONINE
Methionine
ME206990
6137
-
0.938
149.05
CYTIDINE
Cytidine
ME206977
6175
-
0.852
243.0847
L-HISTIDINE
Histidine
ME206987
6274
-
0.746
155.0682
VALINE
Valine
ME207015
6287
-
0.887
117.0784
TRYPTOPHAN
Tryptophan
ME207010
6305
-
3.554
204.0892
ISOLEUCINE
Isoleucine
ME206984
6306
-
1.522
131.0934
PANTOTHENIC ACID
Pantothenic acid
ME206999
6613
-
3.241
219.1108
4-PYRIDOXIC ACID
4-Pyridoxic acid
ME206968
6723
-
1.857
183.0528
5-OXOPROLINE
Pyroglutamic acid
ME206969
7405
-
1.23
129.0425
ARACHIDIC ACID
Arachidic acid
ME206972
10467
-
23.55
312.3032
MYRISTIC ACID
Myristic acid
ME206991
11005
-
22.414
228.2093
URSODIOL-2 WATER
Ursodeoxycholic acid
ME207014
31401
-
21.656
392.2918
XANTHOSINE
Xanthosine
ME207017
64959
-
2.25
284.0758
N-ACETYLLEUCINE
N-Acetylleucine
ME206996
75619
-
7.293
173.105
N-ACETYL-L-ALANINE
N-Acetylalanine
ME206994
88064
-
1.479
131.0581
D-GLUCOSIDE (METHYL BETA-D-GALACTOSIDE)
Methyl beta-D-galactoside
ME206978
94214
-
0.874
194.0786
D-GLUCURONIC ACID
Glucuronic acid
ME206979
94715
-
0.871
194.041
O-ACETYLSERINE
O-Acetylserine
ME206998
99478
-
0.855
147.052
N-ALPHA-ACETYL-L-ASPARAGINE (M-H)
N-Acetylasparagine
ME206997
99715
-
0.763
174.0625
MALATE
Malic acid
ME206989
222656
-
0.863
134.0216
S-ADENOSYLHOMOCYSTEINE
S-Adenosylhomocysteine
ME207005
439155
-
1.425
384.1189
RAFFINOSE
Raffinose
ME207002
439242
-
0.711
504.1675
STACHYOSE (M-H)
Stachyose
ME207006
439531
-
0.752
666.2207
N-ACETYL-D-TRYPTOPHAN
N-Acetyl-D-tryptophan
ME206992
439917
-
7.898
246.1005
CITRAMALIC ACID
Citramalic acid
ME206974
441696
-
1.374
148.037
ACONITIC ACID
cis-Aconitic acid
ME206970
444212
-
1.112
174.0165
RETINOIC ACID
Retinoic acid
ME207003
444795
-
22.533
300.2062
CIS-9-PALMITOLEIC ACID
Palmitoleic acid
ME206973
445638
-
22.549
254.2252
N-ACETYL-DL-METHIONINE
N-Acetylmethionine
ME206993
448580
-
4.032
191.0609
RIBOFLAVIN (VITAMIN B2)
Riboflavin
ME207004
493570
-
7.558
376.1397
ELAIDIC ACID
Elaidic acid
ME206981
637517
-
22.89
282.2563
LINOLEIC ACID
Linoleic acid
ME206988
5280450
-
22.687
280.2408
L-ASCORBIC ACID
Vitamin C
ME206986
54670067
-
1.298
176.0319
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-HYDROXYBENZYL ALCOHOL
3-Hydroxybenzyl alcohol
ME207020
102
-
5.643
124.0518
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME207055
185
-
1.153
189.0626
CITRIC ACID
Citric acid
ME207032
311
-
1.01
192.0273
HIPPURIC ACID
Hippuric acid
ME207043
464
-
4.777
179.0587
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME207024
500
-
0.889
145.0856
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID
1-Aminocyclopropanecarboxylic acid
ME207018
535
-
0.967
101.0475
GUANINE
Guanine
ME207042
764
-
0.971
151.0486
HYPOXANTHINE
Hypoxanthine
ME207044
790
-
1.045
136.0394
3-INDOLEACETIC ACID
Indoleacetic acid
ME207021
802
-
6.826
175.0637
NICOTINAMIDE
Niacinamide
ME207059
936
-
1.111
122.0488
SPERMIDINE
Spermidine
ME207069
1102
-
0.546
145.1578
URIC ACID
Uric acid
ME207074
1175
-
1
168.029
XANTHINE
Xanthine
ME207077
1188
-
1.206
152.0336
5-HYDROXYINDOLEACETIC ACID
5-Hydroxyindoleacetic acid
ME207025
1826
-
4.218
191.0584
CAFFEINE
Caffeine
ME207030
2519
-
5.836
194.0807
SALICYLAMIDE
Salicylamide
ME207067
5147
-
5.332
137.0489
XANTHURENIC ACID
Xanthurenic acid
ME207079
5699
-
4.533
205.0384
CORTICOSTERONE
Corticosterone
ME207033
5753
-
15.341
346.2144
SORBITOL (M+H)
Sorbitol
ME207068
5780
-
0.724
182.0802
THYMIDINE (M+H)
Thymidine
ME207071
5789
-
2.707
242.0919
L-THYROXINE
Thyroxine
ME207049
5819
-
16.103
776.6852
LYSINE
Lysine
ME207051
5962
-
0.512
146.1056
URIDINE (M+H)
Uridine
ME207075
6029
-
1.305
244.0712
QUINOLIN-2-OL
2-Hydroxyquinoline
ME207063
6038
-
4.321
145.0532
TYROSINE
Tyrosine
ME207073
6057
-
1.296
181.0743
METHIONINE
Methionine
ME207052
6137
-
0.971
149.0515
CYTIDINE (M+H)
Cytidine
ME207034
6175
-
0.832
243.0833
D-ORNITHINE C00515
Ornithine
ME207036
6262
-
0.513
132.0897
ASPARAGINE
Asparagine
ME207029
6267
-
0.659
132.0545
VALINE
Valine
ME207076
6287
-
0.866
117.0782
TRYPTOPHAN
Tryptophan
ME207072
6305
-
3.554
204.0892
ISOLEUCINE
Isoleucine
ME207045
6306
-
1.485
131.0948
PANTOTHENIC ACID
Pantothenic acid
ME207062
6613
-
3.246
219.1113
5-OXOPROLINE
Pyroglutamic acid
ME207026
7405
-
1.128
129.0437
DIOCTYL PHTHALATE (M+H)
Dioctyl phthalate
ME207039
8346
-
23.062
390.2769
3-METHOXYTYROSINE
3-Methoxytyrosine
ME207022
9307
-
2.056
211.0865
L-CARNITINE
Carnitine
ME207047
10917
-
0.764
161.1061
DEOXYCYTIDINE
Deoxycytidine
ME207038
13711
-
0.928
227.0888
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME207023
18189
-
1.797
145.0739
L-NORLEUCINE
Norleucine
ME207048
21236
-
1.582
131.0949
1-METHYLADENOSINE
1-Methyladenosine
ME207019
27476
-
2.968
281.1139
ADENOSINE
Adenosine
ME207028
60961
-
1.75
267.0977
XANTHOSINE
Xanthosine
ME207078
64959
-
2.248
284.0761
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME207057
65065
-
0.935
175.048
N-ACETYLLEUCINE
N-Acetylleucine
ME207058
75619
-
7.273
173.1054
D-GLUCOSIDE (METHYL BETA-D-GALACTOSIDE)
Methyl beta-D-galactoside
ME207035
94214
-
0.863
194.0775
O-ACETYLSERINE
O-Acetylserine
ME207060
99478
-
0.795
147.0538
KYNURENINE
Kynurenine
ME207046
161166
-
2.172
208.0851
5?-DEOXY-5?-(METHYLTHIO)ADENOSINE
5'-Methylthioadenosine
ME207027
439176
-
4.429
297.0904
RAFFINOSE
Raffinose
ME207064
439242
-
0.727
504.1691
STACHYOSE (M+H)
Stachyose
ME207070
439531
-
0.785
666.2212
N-ACETYL-D-TRYPTOPHAN
N-Acetyl-D-tryptophan
ME207054
439917
-
7.895
246.101
DEHYDROASCORBIC ACID
Dehydroascorbic acid
ME207037
440667
-
0.919
174.0148
RETINOIC ACID
Retinoic acid
ME207065
444795
-
22.477
300.2103
CIS-9-PALMITOLEIC ACID
Palmitoleic acid
ME207031
445638
-
22.486
254.2221
FERULIC ACID
trans-Ferulic acid
ME207041
445858
-
7.881
194.0598
N-ACETYL-DL-METHIONINE
N-Acetylmethionine
ME207056
448580
-
4.036
191.0616
RIBOFLAVIN (VITAMIN B2)
Riboflavin
ME207066
493570
-
7.551
376.1404
ELAIDIC ACID
Elaidic acid
ME207040
637517
-
22.754
282.2575
LINOLEIC ACID
Linoleic acid
ME207050
5280450
-
22.602
280.2384
METHYL JASMONATE (M+H)
Methyl jasmonate
ME207053
5281929
-
15.962
224.1404
OPHTHALMIC ACID
Ophthalmic acid
ME207061
7018721
-
1.014
289.125
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