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Return to study ST000116 main page
Analysis: LC/MS positive/negative 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
ME681045
535
C01234
8.6
102.06
2-Oxobutanoate
3-Methyl pyruvic acid
ME681051
58
C00109
8.6
103.04
GABA
gamma-Aminobutyric acid
ME681116
119
C00334
4.2
104.07
Choline
Choline
ME681091
305
C00114
4.2
105.11
Serine
Serine
ME681172
5951
C00065
4.4
106.05
2-Aminophenol
2-Aminophenol
ME681048
5801
C01987
9.5
110.06
Catechol
Pyrocatechol
ME681087
289
C00090
7.9
111.04
Cytosine
Cytosine
ME681100
597
C00380
10
112.05
Fumarate
Fumaric acid
ME681115
444972
C00122
5.9
115.01
5,6-Dihydrouracil
Dihydrouracil
ME681057
649
C00429
14.2
115.05
Proline
Proline
ME681162
145742
C00148
37.5
116.07
Succinate
Succinic acid
ME681174
1110
C00042
5.9
117.02
Valine
Valine
ME681184
6287
C00183
4.1
118.09
Threonine
Threonine
ME681177
6288
C00188
11.8
120.08
Phenylacetaldehyde
Phenylacetaldehyde
ME681158
998
C00601
3.6
121.07
Cysteine
Cysteine
ME681098
594
C00097
10.6
122.03
Benzoate
Benzoic acid
ME681083
243
C00180
11.2
123.04
Nicotinamide
Niacinamide
ME681152
936
C00153
11
123.06
Thymine
Thymine
ME681179
1135
C00178
4.7
127.05
Barbiturate
Barbituric acid
ME681082
6211
C00813
4.4
129.03
Agmatine
Agmatine
ME681073
199
C00179
4.2
131.13
Leucine
Leucine
ME681143
6106
C00123
7.8
132.1
Malate
Malic acid
ME681145
222656
C00149
5.8
133.02
Aspartate
Aspartic acid
ME681080
5960
C00049
5.5
134.05
2-Deoxy-ribose
2-Deoxy-ribose
ME681049
46173726
C04175
28.5
135.07
Homocysteine
Homocysteine
ME681136
778
C05330
13
136.04
Adenine
Adenine
ME681069
190
C00147
11.3
136.06
Hypoxanthine
Hypoxanthine
ME681137
790
C00262
8.5
137.05
Anthranilate
2-Aminobenzoic acid
ME681077
227
C00108
7.8
138.06
Acetyl phosphate
Acetylphosphate
ME681065
186
C00227
4.6
138.98
4-Hydroxybenzoate
4-Hydroxybenzoic acid
ME681056
135
C00156
11.8
139.04
2-Oxoglutarate
2-Oxoglutaric acid
ME681052
51
C00026
7.5
147.03
Glutamate
Glutamic acid
ME681124
33032
C00025
5.6
148.06
Mevalonate
Mevalonic acid
ME681149
439230
C00418
8.6
149.08
Methionine
Methionine
ME681148
6137
C00073
24.9
150.06
Ribose
Ribose
ME681167
5779
C00121
11.1
151.06
Guanine
Guanine
ME681133
764
C00242
8.6
152.06
Xylitol
Xylitol
ME681186
6912
C00379
8
153.08
Histidine
Histidine
ME681135
6274
C00768
29.1
156.08
Orotate
Orotic acid
ME681156
967
C00295
4.7
157.03
2-Aminomuconate
2-Aminomuconic acid
ME681047
5459864
C02220
10.9
158.05
Dihydroorotate
4,5-Dihydroorotic acid
ME681107
439216
C00337
4.8
159.04
2-Oxoadipate
Oxoadipic acid
ME681050
71
C00322
22.9
161.04
Carnitine
Carnitine
ME681086
288
C00318
15.9
162.11
Phenylpyruvate
Phenylpyruvic acid
ME681160
997
C00166
8.1
165.06
Phenylalanine
Phenylalanine
ME681159
6140
C00079
13.9
166.09
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME681161
1005
C00074
11.9
168.99
Glycerone phosphate
Dihydroxyacetone phosphate
ME681128
668
C00111
4.3
171.01
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME681173
439162
C00093
3.1
173.02
Arginine
Arginine
ME681078
6322
C00062
4.1
175.12
Citrulline
Citrulline
ME681094
9750
C00327
15.5
176.1
Glucose
Glucose
ME681122
5793
C00031
22
179.06
Glucosamine
Glucosamine
ME681120
441477
C00329
4.9
180.09
Tyrosine
Tyrosine
ME681181
6057
C00082
8.1
182.08
Mannitol
Mannitol
ME681146
6251
C00392
8.2
183.09
O-Phospho serine
DL-O-Phosphoserine
ME681155
68841
C01005
20.6
186.02
3-Phospho-glycerate
3-Phosphoglyceric acid
ME681053
724
C00197
7.9
187
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME681063
652
C01037
14.2
189.16
N-Acetyl-glutamate
N-Acetylglutamic acid
ME681151
70914
C00624
15.9
190.07
Citrate
Citric acid
ME681093
311
C00158
4
191.02
2,6-Diaminoheptanedioate
2,6-Diaminopimelic acid
ME681046
439283
C00666
7.9
191.1
Glucuronate
Glucuronic acid
ME681123
94715
C00191
4
195.05
Gluconate
Gluconic acid
ME681119
10690
C00257
16.4
197.07
O-Phospho-homoserine
O-Phosphohomoserine
ME681154
151187
C01102
4.8
200.03
Erythrose 4-Phosphate
Erythrose 4-phosphate
ME681110
122357
C00279
18.3
201.02
Tryptophan
Tryptophan
ME681180
6305
C00078
12.8
205.1
Lipoate
Lipoic acid
ME681144
864
C00725
16.9
207.05
Glucarate
Glucaric acid
ME681118
33037
C00818
19.6
209.03
5-Hydroxy-tryptophan
5-Hydroxy-tryptophan
ME681059
439280
C00643
4.9
221.09
N-Acetyl-glucosamine
N-Acetylglucosamine
ME681150
439174
C00140
5.6
222.09
Cystathionine
Cystathionine
ME681097
439258
C00542
4.4
223.08
Chorismate
Chorismic acid
ME681092
12039
C00251
12.2
227.06
Arogenate
Arogenic acid
ME681079
439319
C00826
17.7
228.09
Deoxycytidine
Deoxycytidine
ME681105
13711
C00881
17.7
228.1
5-Phosphoribosylamine
5-Phosphoribosylamine
ME681061
439905
C03090
4.8
230.04
Ribose 5-phosphate
Ribose 5-phosphate
ME681168
439167
C00117
3.7
231.03
Thymidine
Thymidine
ME681178
5789
C00214
26
241.08
Cytidine
Cytidine
ME681099
6175
C00475
25.8
244.09
Biotin
Biotin
ME681085
171548
C00120
21.3
245.1
beta-Alanyl arginine
beta-Alanyl-L-arginine
ME681084
440637
C05340
21.4
246.16
Isopentenyl diphosphate
Isopentenyl-diphosphate
ME681141
1195
C00129
17.6
247.01
Deoxyadenosine
Deoxyadenosine
ME681104
13730
C00559
9.6
252.11
Fructose 6-phosphate
Fructose 6-phosphate
ME681114
69507
C00085
15.6
259.02
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME681121
440997
C00352
28
260.05
Mannitol 1-Phosphate
Mannitol 1-phosphate
ME681147
130418
C00644
18.8
263.05
3-Phospho-glyceroyl phosphate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME681054
439191
C00236
37.7
266.97
Adenosine
Adenosine
ME681070
60961
C00212
13.2
268.1
Inosine
Inosine
ME681140
6021
C00294
13.3
269.09
6-Phospho-gluconate
6-Phosphogluconic acid
ME681062
91493
C00345
18.7
277.03
Guanosine
Guanosine
ME681134
6802
C00387
13
284.1
5'-Methylthioadenosine
5'-Methylthioadenosine
ME681060
439176
C00170
18.3
298.1
Glutathione
Glutathione
ME681125
124886
C00051
19.2
308.09
dUMP
dUMP
ME681109
65063
C00365
25.7
309.05
UMP
UMP
ME681183
6030
C00105
11.7
323.03
dTMP
dTMP
ME681108
9700
C00364
21.3
323.06
CMP
CMP
ME681095
6131
C00055
9.7
324.06
Nicotinamide ribonucleotide
Nicotinamide ribotide
ME681153
14180
C00455
12.3
335.06
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME681113
172313
C00354
21.5
338.99
AMP
AMP
ME681076
6083
C00020
14.8
348.07
IMP
IMP
ME681139
8582
C00130
15.9
349.05
Pantetheine 4'-phosphate
Pantetheine 4'-phosphate
ME681157
987
C01134
5.1
357.09
GMP
GMP
ME681132
6804
C00144
12.2
362.05
XMP
XMP
ME681185
73323
C00655
12.7
363.03
Sedoheptulose 1,7-bisphosphate
Sedoheptulose 1,7-bisphosphate
ME681171
164735
C00447
11
371.01
Riboflavin
Riboflavin
ME681166
493570
C00255
5.4
377.15
S-Adenosyl-homocysteine
S-Adenosylhomocysteine
ME681169
439155
C00021
25.2
385.13
dCDP
dCDP
ME681103
150855
C00705
17.5
386.02
S-Adenosyl-methionine
S-Adenosylmethionine
ME681170
34755
C00019
21.6
399.15
CDP
CDP
ME681088
6132
C00112
34
404.03
UDP
UDP
ME681182
6031
C00015
19.6
405.01
dADP
dADP
ME681101
188966
C00206
1.1
410.03
dIDP
dIDP
ME681106
439488
C01344
23.2
413.03
Thiamin diphosphate
Thiamine diphosphate
ME681176
1132
C00068
29.2
424.04
Chitobiose
N,N'-Diacetylchitobiose
ME681090
439544
C01674
29.9
425.18
ADP
ADP
ME681072
6022
C00008
0.3
426.02
IDP
IDP
ME681138
6831
C00104
30
429.02
Tetrahydrofolate
THF
ME681175
91443
C00101
30
446.18
Geranylgeranyl diphosphate
Geranylgeranyl diphosphate
ME681117
447277
C00353
3.9
451.2
FMN
FMN
ME681112
643976
C00061
20.3
457.11
Adenylylselenate
Adenylylselenate
ME681071
440758
C05686
18.9
475.97
CTP
CTP
ME681096
6176
C00063
26.2
483.99
dATP
dATP
ME681102
15993
C00131
19.5
489.99
Raffinose
Raffinose
ME681165
439242
C00492
24.1
505.18
ATP
ATP
ME681081
5957
C00002
20.2
508
Acrylonitrile
Acrylonitrile
ME681068
7855
C01998
4.8
54.03
CDP-glucose
CDP-glucose
ME681089
439244
C00501
22.4
566.08
Acetate
Acetic acid
ME681064
176
C00033
4.8
60.03
Acrylamide
Acrylamide
ME681066
6579
C01659
5.1
72.05
Acrylate
Acrylic acid
ME681067
6581
C00511
24.7
73.03
Aminoacetone
Aminoacetone
ME681075
215
C01888
23.2
74.06
Glyoxylate
Glyoxylic acid
ME681131
760
C00048
4.3
75.01
Glycine
Glycine
ME681129
750
C00037
6.1
76.04
Glycolate
Glycolic acid
ME681130
757
C00160
7.9
77.02
FAD
FAD
ME681111
643975
C00016
16.2
786.17
Propionyl-CoA
Propionyl-CoA
ME681163
92753
C00100
21.2
824.15
5-Aminoimidazole
5-Aminoimidazole
ME681058
484
C05239
6.7
84.06
4-Aminobutyraldehyde
4-Aminobutyraldehyde
ME681055
118
C00555
7.4
88.08
Glycerone
Dihydroxyacetone
ME681127
670
C00184
5.4
89.02
Lactate
Lactic acid
ME681142
107689
C00186
6.1
89.02
Pyruvate
Pyruvic acid
ME681164
1060
C00022
7.9
89.02
Alanine
Alanine
ME681074
5950
C00041
6.8
90.06
Glycerol
Glycerol
ME681126
753
C00116
8.1
93.06
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