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Return to study ST000289 main page
Analysis: ESI Positive mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazol-3(2H)-one
ME103840
17520
-
9.95
152.0166
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME103841
535
C01234
0.72
102.0554
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME103842
119
C00334
0.78
104.071
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME103843
500
C01035
1.62
146.0925
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME103844
36143
C12323
0.81
168.0658
4-HYDROXYPROLINE
cis-4-Hydroxyproline
ME103845
440015
C01015
0.73
132.0658
6C-SUGAR ALCOHOL
-
ME103846
-
-
0.73
205.0687
ADENINE
Adenine
ME103847
190
C00147
1.5
136.0618
ADENOSINE
Adenosine
ME103848
60961
C00212
5.64
290.0856
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME103849
6083
C00020
1.67
348.0704
ALANINE/SARCOSINE
Alanine/Sarcosine
ME103850
-
-
0.71
90.0553
ALDO/KETO-HEXOSE
Hexose
ME103851
-
-
0.76
203.053
ALDOPENTOSE
Aldopentose
ME103852
-
-
0.8
173.0428
ALLANTOIN
Allantoin
ME103853
204
C01551
0.79
159.0516
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME103854
-
-
0.81
162.0763
ASPARTATE
Aspartic acid
ME103855
5960
C00049
0.7
134.0449
BETAINE
Betaine
ME103856
247
C00719
0.86
118.0866
Caffeine-D3
Caffeine
ME103857
13001298
-
7.89
198.1067
CITRATE
Citric acid
ME103858
311
C00158
1.93
215.0167
CITRULLINE
Citrulline
ME103859
9750
C00327
0.76
176.1035
CREATINE
Creatine
ME103860
586
C00300
0.99
132.0773
CYS-GLY
Cys-Gly
ME103861
439498
-
0.87
179.0476
CYTOSINE
Cytosine
ME103862
597
C00380
0.81
112.0509
DEOXYCARNITINE
3-Dehydroxycarnitine
ME103864
725
C05543
1.35
146.1175
D-(+)-RAFFINOSE
Raffinose
ME103863
439242
C00492
0.82
527.1598
FERULATE
trans-Ferulic acid
ME103865
445858
C01494
8.37
195.065
GLUCOSAMINE/MANNOSAMINE
-
ME103866
-
-
0.75
180.0868
GLUCOSE/FRUCTOSE-PHOSPHATE
-
ME103867
-
-
0.72
283.0193
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME103868
6804
C00144
1.96
364.0646
HEXOSE-6-PHOSPHATE
Hexose 6-phosphate
ME103869
208
C02965
0.78
261.0374
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME103870
-
-
0.89
365.1048
HYPOXANTHINE
Hypoxanthine
ME103871
790
C00262
2.05
137.0459
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME103872
439278
-
0.76
187.0006
LEUCINE
Leucine
ME103873
6106
C00123
2.48
132.1022
L-GLUTAMINE
Glutamine
ME103874
5961
C00064
0.72
147.0764
L-Isoleucine
Isoleucine
ME103875
6306
C00407
2.18
132.1023
L-Leucine-D10
Leucine
ME103876
16213587
-
2.45
142.1648
L-METHIONINE
Methionine
ME103877
6137
C00073
1.41
150.0587
L-PROLINE
Proline
ME103878
145742
C00148
0.81
116.071
L-TYROSINE
Tyrosine
ME103879
6057
C00082
3.36
182.0815
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME103880
-
-
1.1
118.0866
LysoPC (16:0)
LPC 16:0
ME103881
460602
C04230
13.66
496.3384
LysoPE (18:1)
LPE 18:1
ME103882
9547071
-
13.66
480.3073
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME103884
185
-
2.2
190.0709
N-ACETYL-L-ALANINE
N-Acetylalanine
ME103885
88064
-
2.15
154.0476
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME103886
439197
C00270
0.79
310.114
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME103887
122356
C02714
1.15
131.118
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME103888
92907
C12989
1.05
189.1238
NICOTINAMIDE MONONUCLEOTIDE
Nicotinamide ribotide
ME103889
14180
C00455
1.13
335.0637
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME103890
22880
C12269
0.75
148.0608
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME103883
64969
C01152
0.72
170.0926
Pantothenic Acid
Pantothenic acid
ME103891
988
C00864
6.62
220.1179
PHENETHYLAMINE
Phenylethylamine
ME103892
1001
C05332
6.86
122.0967
Phenylalanine
Phenylalanine
ME103893
6140
C00079
6.2
166.0864
Phenylalanine-HCOOH
-
ME103894
-
-
6.2
120.081
PHOSPHOCHOLINE
Choline phosphate
ME103895
135437
-
0.72
184.0737
PICOLINIC ACID
Picolinic acid
ME103896
1018
C10164
1.37
124.0398
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME103897
439227
C00408
1.27
130.0867
QUINATE
Quinic acid
ME103898
6508
C00296
0.82
193.0713
(R)-MALATE
D-Malic acid
ME103839
92824
C00497
1.07
157.0111
S-(5'-ADENOSYL)-L-METHIONINE
S-Adenosylmethionine
ME103899
34755
C00019
0.8
399.1456
SUCCINATE
Succinic acid
ME103900
1110
C00042
2.29
141.016
THREONINE/HOMOSERINE
Threonine/Homoserine
ME103901
-
-
0.73
120.0658
TRANS-CINNAMATE
trans-Cinnamic acid
ME103902
444539
C00423
9.77
149.0597
Tryptophan
Tryptophan
ME103903
6305
C00078
7.64
205.0971
Tryptophan-2,3,3-D3
Tryptophan
ME103904
-
-
7.62
208.1162
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME103905
-
-
7.63
191.0893
Tryptophan-NH3
Tryptophan
ME103906
6305
C00078
7.64
188.071
URACIL
Uracil
ME103907
1174
C00106
1.37
113.0348
URATE
Uric acid
ME103908
1175
C00366
1.86
169.0359
URIDINE
Uridine
ME103909
6029
C00299
2.84
267.0587
URIDINE-5-MONOPHOSPHATE
UMP
ME103910
6030
C00105
1.25
325.0427
Analysis: ESI Negative mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,5-DIHYDROXYBENZOATE
Gentisic acid
ME103911
3469
C00628
7.48
153.0188
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME103912
873
C01198
8.73
165.0553
3,4-DIHYDROXYPHENYLACETATE
3,4-Dihydroxybenzeneacetic acid
ME103913
547
C01161
7.04
167.0329
3'-CMP
3'-CMP
ME103914
6131
C05822
1.6
322.0446
3-METHYL-2-OXOVALERIC ACID
3-Methyl-2-oxovaleric acid
ME103915
47
C03465
6.71
129.0558
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME103916
70
C00233
7.31
129.0558
5-OXO-L-PROLINE
Pyroglutamic acid
ME103917
7405
C01879
1.81
128.035
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME103918
91493
C00345
0.78
275.0182
ADENINE
Adenine
ME103919
190
C00147
1.5
134.047
ADENOSINE
Adenosine
ME103920
60961
C00212
5.67
266.0897
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME103921
6083
C00020
1.69
346.0545
ADP_1
ADP
ME103922
6022
C00008
1.13
426.0223
ADP_2
ADP
ME103923
6022
C00008
0.84
426.0217
ALDOPENTOSE
Aldopentose
ME103924
-
-
0.75
149.0451
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME103925
51
C00026
1.3
145.0143
ASPARAGINE
Asparagine
ME103926
6267
C00152
0.7
131.0461
ASPARTATE
Aspartic acid
ME103927
5960
C00049
0.72
132.0299
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME103928
-
-
0.79
341.1074
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME103929
-
-
0.74
179.0558
CITRATE
Citric acid
ME103930
311
C00158
1.95
191.0194
CITRIC ACID-13C6
Citric acid
ME103931
16217547
-
1.95
197.0399
CMP
CMP
ME103932
6131
C00055
1.11
322.0446
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME103933
-
-
0.72
193.0346
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME103934
668
C00111
0.74
168.9906
DISACCHARIDE (6C/6C)
-
ME103935
-
-
0.8
377.0848
D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE
Ribose
ME103936
-
-
0.73
229.0119
D-SACCHARIC ACID
Glucaric acid
ME103937
33037
C00818
0.72
209.0301
Erythrose 4-Phosphate
Erythrose 4-phosphate
ME103938
122357
C00279
0.74
199.001
Fumaric Acid
Fumaric acid
ME103939
444972
C00122
2.07
115.0035
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME103940
-
-
0.73
195.0509
Glucose 1-Phosphate
Glucose 1-phosphate
ME103941
65533
C11450
0.73
259.0227
GLUCOSE/FRUCTOSE [M+Cl]-
Hexose
ME103942
-
-
0.73
215.0326
GLUTARATE
Glutaric acid
ME103943
743
C00489
4.68
131.0348
GLUTATHIONE
Glutathione
ME103944
124886
C00051
1.62
306.0769
Glyceraldehyde
Glyceraldehyde
ME103945
751
C02154
0.74
89.0238
GLYCERIC ACID
Glyceric acid
ME103946
439194
C00258
0.8
105.0188
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME103947
-
-
0.73
171.0059
GLYCOLATE
Glycolic acid
ME103948
757
C00160
0.83
75.008
Guanosine
Guanosine
ME103949
6802
C00387
6.23
282.0844
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME103950
6804
C00144
1.99
362.0517
HEXOSE ALCOHOL
-
ME103951
-
-
0.73
181.0714
Inosine
Inosine
ME103952
6021
C00294
0.8
267.0721
INOSINE
Inosine
ME103953
6021
C00294
6.11
267.0723
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME103954
439278
-
0.73
184.9849
L-GLUTAMINE
Glutamine
ME103955
5961
C00064
0.72
145.0615
Linoleic Acid (18:2)
Linoleic acid
ME103956
5280450
C01595
16.23
279.2328
L-METHIONINE
Methionine
ME103957
6137
C00073
1.43
148.0439
L-TYROSINE
Tyrosine
ME103958
6057
C00082
3.39
180.0668
MALATE
Malic acid
ME103959
222656
C00149
0.9
133.0139
MALONATE
Malonic acid
ME103960
867
C00383
1.19
103.0032
Mono-(2-Ethylhexyl) Phthalate
Monoethylhexyl phthalic acid
ME103961
20393
C03343
13.54
277.1447
Mono-(2-Ethylhexyl) Phthalate Dimer
Monoethylhexyl phthalic acid
ME103962
20393
C03343
13.65
540.3293
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME103963
185
-
2.23
188.0558
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME103964
92907
C12989
1.34
187.1089
NICOTINATE
Nicotinic acid
ME103965
938
C00253
1.36
122.0244
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME103966
22880
C12269
0.74
146.0458
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME103967
439377
C01046
0.79
160.0612
Proline
Proline
ME103968
145742
C00148
0.8
114.0559
QUINATE
Quinic acid
ME103969
6508
C00296
0.8
191.0557
Salicylic Acid-D4
Salicylic acid
ME103970
46782907
-
9.93
141.0496
SARCOSINE/BETA-ALANINE
-
ME103971
-
-
0.72
88.0398
SUCCINATE
Succinic acid
ME103972
1110
C00042
2.3
117.0193
SUCCINIC ACID-13C6
Succinic acid
ME103973
-
-
2.31
121.0325
THREONINE/HOMOSERINE
Threonine/Homoserine
ME103974
-
-
0.72
118.0509
TRANS-ACONITATE
trans-Aconitic acid
ME103975
444212
C02341
3.22
173.0089
Tryptophan
Tryptophan
ME103976
6305
C00078
7.64
203.0821
UDP
UDP
ME103977
6031
C00015
0.86
402.993
URACIL
Uracil
ME103978
1174
C00106
1.34
111.0197
URATE
Uric acid
ME103979
1175
C00366
1.88
167.021
URIDINE
Uridine
ME103980
6029
C00299
2.87
243.0614
URIDINE-5-MONOPHOSPHATE
UMP
ME103981
6030
C00105
1.27
323.028
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