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Return to study ST000745 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
DL-3-AMINO-ISOBUTANOIC ACID
3-Aminoisobutanoic acid
ME206879
64956
-
1.759
103.0643
FUMARIC ACID
Fumaric acid
ME206882
444972
-
1.115
116.0115
N-ACETYLGLYCINE
N-Acetylglycine
ME206900
1097
-
0.701
117.0416
VALINE
Valine
ME206917
6287
-
0.868
117.0784
SUCCINATE
Succinic acid
ME206910
1110
-
1.284
118.027
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME206865
126
-
4.814
122.0378
ITACONIC ACID
Itaconic acid
ME206890
811
-
0.959
130.0269
4-METHYL-2-OXOPENTANOATE
Ketoleucine
ME206866
70
-
4.719
130.0632
N-ACETYL-L-ALANINE
N-Acetylalanine
ME206898
88064
-
1.475
131.0579
ISOLEUCINE
Isoleucine
ME206889
6306
-
1.5
131.0938
2-AMINO-4-METHYLPENTANOIC ACID (LEUCINE)
Leucine
ME206861
6106
-
1.575
131.0945
MALATE
Malic acid
ME206894
222656
-
0.786
134.0211
HYPOXANTHINE
Hypoxanthine
ME206887
790
-
1.087
136.0381
PHENYLACETIC ACID
Phenylacetic acid
ME206904
999
-
3.763
136.0525
GLUTAMINE
Glutamine
ME206884
5961
-
0.602
146.0684
CITRAMALIC ACID
Citramalic acid
ME206873
441696
-
1.349
148.0363
XANTHINE
Xanthine
ME206918
1188
-
1.263
152.0348
L-HISTIDINE
Histidine
ME206892
6274
-
0.601
155.0691
PIMELIC ACID
Pimelic acid
ME206905
385
-
5.655
160.0733
3-HYDROXY-3-METHYL-GLUTARIC ACID
3-Hydroxymethylglutaric acid
ME206863
1662
-
1.59
162.0525
N-ACETYL-L-CYSTEINE
N-Acetylcysteine
ME206899
12035
-
1.854
163.0315
URIC ACID
Uric acid
ME206914
1175
-
0.992
168.0287
N-ACETYLLEUCINE
N-Acetylleucine
ME206901
75619
-
7.334
173.1049
L-ASCORBIC ACID
Vitamin C
ME206891
54670067
-
1.359
176.0321
GLUCONOLACTONE
Gluconolactone
ME206883
7027
-
1.455
178.0461
HIPPURIC ACID
Hippuric acid
ME206886
464
-
4.763
179.0583
TYROSINE
Tyrosine
ME206913
6057
-
1.298
181.0739
D-MANNITOL
Mannitol
ME206877
6251
-
0.708
182.0776
4-PYRIDOXIC ACID
4-Pyridoxic acid
ME206867
6723
-
1.861
183.0532
N-ACETYL-DL-METHIONINE
N-Acetylmethionine
ME206897
448580
-
4.03
191.0613
CITRIC ACID
Citric acid
ME206874
311
-
0.946
192.027
D-GLUCOSIDE (METHYL BETA-D-GALACTOSIDE)
Methyl beta-D-galactoside
ME206876
94214
-
0.874
194.0792
TRYPTOPHAN
Tryptophan
ME206912
6305
-
3.552
204.089
PANTOTHENIC ACID
Pantothenic acid
ME206903
6613
-
3.244
219.1109
MYRISTIC ACID
Myristic acid
ME206896
11005
-
22.409
228.2093
THYMIDINE
Thymidine
ME206911
5789
-
2.717
242.0906
URIDINE (M-H)
Uridine
ME206915
6029
-
1.33
244.0695
CIS-9-PALMITOLEIC ACID
Palmitoleic acid
ME206872
445638
-
22.54
254.2251
LINOLEIC ACID
Linoleic acid
ME206893
5280450
-
22.677
280.2407
ELAIDIC ACID
Elaidic acid
ME206881
637517
-
22.887
282.2564
XANTHOSINE
Xanthosine
ME206919
64959
-
2.248
284.0761
STEARIC ACID
Stearic acid
ME206909
5281
-
23.145
284.2721
OPHTHALMIC ACID
Ophthalmic acid
ME206902
7018721
-
1.182
289.127
ANDROSTERONE
Androsterone
ME206869
5879
-
19.76
290.2249
EDTA
Edetic acid
ME206880
6049
-
0.723
292.0907
RETINOIC ACID
Retinoic acid
ME206907
444795
-
22.471
300.2067
ARACHIDIC ACID
Arachidic acid
ME206870
10467
-
23.546
312.3032
URIDINE MONOPHOSPHATE (UMP)
UMP
ME206916
6030
-
0.855
324.0381
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-DOCOSAHEX...
DHA
ME206860
445580
-
22.655
328.241
3',5'-CYCLIC AMP
3',5' cyclic AMP
ME206862
6076
-
1.91
329.0519
CIS-7,10,13,16-DOCOSATETRAENOIC ACID
Adrenic acid
ME206871
5497181
-
22.921
332.2713
CORTICOSTERONE
Corticosterone
ME206875
5753
-
15.34
346.2151
DEOXYGUANOSINE 5'-MONOPHOSPHATE (DGMP)
dGMP
ME206878
6994968
-
0.896
347.0609
INOSINE 5'-MONOPHOSPHATE (IMP)
IMP
ME206888
8582
-
0.858
348.0481
XANTHOSINE 5'-PHOSPHATE
XMP
ME206920
73323
-
0.983
364.0456
RIBOFLAVIN (VITAMIN B2)
Riboflavin
ME206908
493570
-
7.549
376.1392
ADP-GLUCOSE
ADP-glucose
ME206868
16500
-
0.836
589.0829
3-METHYL-2-BUTENAL
3-Methyl-2-butenal
ME206864
61020
-
2.533
84.0568
PYRUVIC ACID
Pyruvic acid
ME206906
1060
-
0.861
88.0162
GLYCERALDEHYDE
Glyceraldehyde
ME206885
79014
-
0.605
90.0309
MALEIMIDE
Maleimide
ME206895
10935
-
1.016
97.0155
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
VALINE
Valine
ME206958
6287
-
0.865
117.0785
NICOTINAMIDE
Niacinamide
ME206946
936
-
1.114
122.0486
5-OXOPROLINE
Pyroglutamic acid
ME206924
7405
-
1.13
129.0433
ISOLEUCINE
Isoleucine
ME206937
6306
-
1.48
131.0947
2-AMINO-4-METHYLPENTANOIC ACID (LEUCINE)
Leucine
ME206921
6106
-
1.574
131.0948
ASPARAGINE
Asparagine
ME206927
6267
-
0.657
132.0539
N-NITROSODIETHANOLAMINE
N-Nitrosodiethanolamine
ME206945
14223
-
0.947
134.0698
HYPOXANTHINE
Hypoxanthine
ME206935
790
-
1.063
136.0389
SALICYLAMIDE
Salicylamide
ME206952
5147
-
5.286
137.0484
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME206923
18189
-
1.797
145.073
OXOGLUTARIC ACID (ALPHA-KETO-GLUTARATE)
2-Oxoglutaric acid
ME206948
51
-
0.944
146.0217
METHIONINE
Methionine
ME206941
6137
-
0.971
149.0513
GUANINE
Guanine
ME206933
764
-
0.981
151.0484
XANTHINE
Xanthine
ME206959
1188
-
1.287
152.0335
PIMELIC ACID
Pimelic acid
ME206950
385
-
5.689
160.0729
L-CARNITINE
Carnitine
ME206939
10917
-
0.795
161.1055
URIC ACID
Uric acid
ME206956
1175
-
0.992
168.0286
N-ACETYLLEUCINE
N-Acetylleucine
ME206944
75619
-
7.32
173.1051
HIPPURIC ACID
Hippuric acid
ME206934
464
-
4.784
179.0587
TYROSINE
Tyrosine
ME206955
6057
-
1.287
181.074
N-ACETYL-DL-METHIONINE
N-Acetylmethionine
ME206943
448580
-
4.036
191.0623
CITRIC ACID
Citric acid
ME206929
311
-
0.976
192.0273
D-GLUCOSIDE (METHYL BETA-D-GALACTOSIDE)
Methyl beta-D-galactoside
ME206930
94214
-
0.876
194.0789
TRYPTOPHAN
Tryptophan
ME206954
6305
-
3.561
204.0891
XANTHURENIC ACID
Xanthurenic acid
ME206962
5699
-
4.523
205.0382
KYNURENINE
Kynurenine
ME206938
161166
-
2.169
208.0854
3-METHOXYTYROSINE
3-Methoxytyrosine
ME206922
9307
-
1.971
211.0855
PANTOTHENIC ACID
Pantothenic acid
ME206949
6613
-
3.245
219.1113
DEOXYCYTIDINE
Deoxycytidine
ME206931
13711
-
0.963
227.0893
THYMIDINE (M+H)
Thymidine
ME206953
5789
-
2.719
242.0917
URIDINE (M+H)
Uridine
ME206957
6029
-
1.292
244.0709
N-ACETYL-D-TRYPTOPHAN
N-Acetyl-D-tryptophan
ME206942
439917
-
7.894
246.1007
CIS-9-PALMITOLEIC ACID
Palmitoleic acid
ME206928
445638
-
22.514
254.2226
ADENOSINE
Adenosine
ME206926
60961
-
1.756
267.0945
XANTHOSINE
Xanthosine
ME206960
64959
-
2.248
284.0767
OPHTHALMIC ACID
Ophthalmic acid
ME206947
7018721
-
1.175
289.1272
EDTA
Edetic acid
ME206932
6049
-
0.772
292.0912
5?-DEOXY-5?-(METHYLTHIO)ADENOSINE
5'-Methylthioadenosine
ME206925
439176
-
4.433
297.0906
INOSINE 5'-MONOPHOSPHATE (IMP)
IMP
ME206936
8582
-
0.956
348.0488
XANTHOSINE 5'-PHOSPHATE
XMP
ME206961
73323
-
0.958
364.043
RIBOFLAVIN (VITAMIN B2)
Riboflavin
ME206951
493570
-
7.559
376.1403
L-THYROXINE
Thyroxine
ME206940
5819
-
16.12
776.6851
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