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Return to study ST002712 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
Dimethylglycine
Dimethylglycine
ME640213
-
C01026
-
102.056068
L-serine
Serine
ME640166
-
C00065
-
104.0353
Uracil
Uracil
ME640177
-
C00106
-
111.020027
Fumarate
Fumaric acid
ME640201
-
C00122
-
115.003693
Hexanoic acid (caproate)
Caproic acid
ME640224
-
C01585
-
115.076492
Succinate
Succinic acid
ME640200
-
C00042
-
117.019341
5-Oxoproline
Pyroglutamic acid
ME640210
-
C01879
-
128.035355
Heptanoic acid
Heptylic acid
ME640225
-
C17714
-
129.092102
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME640219
-
C01157
-
130.05101
1-4-beta-D-Xylan
-
ME640215
-
C02352
-
131.035004
Malate
Malic acid
ME640202
-
C00149
-
133.014252
L-Homocysteine
Homocysteine
ME640244
-
C00155
-
134.024887
Octanoic acid (caprylate)
Caprylic acid
ME640226
-
C06423
-
143.107742
2-Oxoglutarate
2-Oxoglutaric acid
ME640199
-
C00026
-
145.014221
2-Hydroxyglutarate/Citramalate
2-Hydroxyglutaric acid
ME640203
-
C02630
-
147.029892
D-Ribose
Ribose
ME640196
-
C00121
-
149.045639
D-Arabitol
Arabitol
ME640197
-
C01904
-
151.061401
L-histidine
Histidine
ME640165
-
C00135
-
154.0622
Nonanoic acid (pelargonate)
Pelargonic acid
ME640227
-
C01601
-
157.123474
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME640192
-
C00074
-
166.975113
L-Cysteate
Cysteic acid
ME640221
-
C00506
-
167.997086
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME640189
-
C00118
-
168.990387
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME640223
-
C00093
-
171.006409
Decanoic acid (caprate)
Capric acid
ME640228
-
C01571
-
171.139084
Dehydroascorbate
L-Dehydroascorbic acid
ME640212
-
C05422
-
173.009109
Ascorbate
Vitamin C
ME640211
-
C00072
-
175.024841
Diphosphate
Pyrophosphate
ME640185
-
C00013
-
176.935989
D-Glucose
Glucose
ME640186
-
C00031
-
179.056137
Mannitol
Mannitol
ME640195
-
C00392
-
181.071762
4-Pyridoxate
4-Pyridoxic acid
ME640180
-
C00847
-
182.044098
2/3-Phospho-D-glycerate
2-Phosphoglyceric acid
ME640191
-
C00631
-
184.985474
Citrate
Citric acid
ME640198
-
C00158
-
191.019745
D-Erythrose 4-phosphate
Erythrose 4-phosphate
ME640205
-
C00279
-
199.001221
Dodecanoic acid (lauric acid)
Lauric acid
ME640229
-
C02679
-
199.170395
Phosphocreatine
Phosphocreatine
ME640218
-
C02305
-
210.028549
Pantothenate
Pantothenic acid
ME640220
-
C00864
-
218.103409
Tetradecenoic acid (myristoleic acid)
Myristoleic acid
ME640233
-
C08322
-
225.186035
Tetradecanoic acid (myristic acid)
Myristic acid
ME640230
-
C06424
-
227.20166
alpha-D-Ribose 1-phosphate
Ribose 1-phosphate
ME640207
-
C00620
-
229.011887
Hydroxyindole-acetylglycine
Hydroxyindoleacetylglycine
ME640222
-
C05832
-
247.072281
Hexadecenoic acid (Palmitoleic acid)
Palmitoleic acid
ME640234
-
C08362
-
253.2173
Hexadecanoic acid (palmitic acid)
Palmitic acid
ME640231
-
C00249
-
255.232925
D-Glucose 6-phosphate
Glucose 6-phosphate
ME640187
-
C02965
-
259.022461
1-3-Bisphosphoglycerate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME640190
-
C00236
-
264.952057
Inosine
Inosine
ME640179
-
C00294
-
267.073151
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME640204
-
C00345
-
275.017426
a-Linolenic acid (Octadecatrienoic acid)
Octadecatrienoic acid
ME640237
-
C06427
-
277.217316
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)
Linoleic acid
ME640236
-
C01595
-
279.232941
Octadecenoic acid (Oleic acid)
Oleic acid
ME640235
-
C00712
-
281.248566
Guanosine
Guanosine
ME640171
-
C00387
-
282.084045
Octadecanoic acid (stearic acid)
Stearic acid
ME640232
-
C01530
-
283.264252
Sedoheptulose 1-phosphate
Sedoheptulose 1-phosphate
ME640206
-
C06222
-
289.033081
Eicosapentaenoic acid
Eicosapentaenoic acid
ME640240
-
C06428
-
301.217377
Arachidonic acid (Eicosatetraenoic acid)
Eicosatetraenoic acid
ME640238
-
C00219
-
303.233002
(8Z-11Z-14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME640241
-
C03242
-
305.248688
Glutathione
Glutathione
ME640209
-
C00051
-
306.07666
N-Acetylneuraminate
N-Acetylneuraminic acid
ME640214
-
C00270
-
308.098785
UMP
UMP
ME640176
-
C00105
-
323.028748
Docosahexaenoic acid
Docosahexaenoic acid
ME640239
-
C06429
-
327.233032
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...
DPA
ME640242
-
C16513
-
329.248749
D-Fructose 1-6-bisphosphate
Fructose 1,6-bisphosphate
ME640188
-
C00354
-
338.988739
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME640243
-
C00021
-
383.113159
5-Phospho-alpha-D-ribose 1-diphosphate
Phosphoribosyl pyrophosphate
ME640208
-
C00119
-
388.944611
CDP
CDP
ME640173
-
C00112
-
402.010925
UDP
UDP
ME640175
-
C00015
-
402.998413
ADP
ADP
ME640168
-
C00008
-
426.022217
GDP
GDP
ME640170
-
C00035
-
442.017212
Flavin mononucleotide
FMN
ME640182
-
C00061
-
455.098206
CTP
CTP
ME640172
-
C00063
-
481.977295
UTP
UTP
ME640174
-
C00075
-
482.960938
ATP
ATP
ME640167
-
C00002
-
505.988495
ITP
ITP
ME640178
-
C00081
-
506.972076
GTP
GTP
ME640169
-
C00044
-
521.983093
UDP-glucose
UDP-glucose
ME640181
-
C00029
-
565.047974
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME640216
-
C00043
-
606.074402
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME640217
-
C00128
-
613.139954
NADP+
NADP
ME640183
-
C00006
-
742.068359
Pyruvate
Pyruvic acid
ME640193
-
C00022
-
87.008781
Lactate
Lactic acid
ME640194
-
C01432
-
89.024414
Phosphate
Phosphoric acid
ME640184
-
C00009
-
96.969627
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Cadaverine
Cadaverine
ME640282
-
C01672
-
103.123146
Choline
Choline
ME640300
-
C00114
-
104.107155
Cytosine
Cytosine
ME640269
-
C00380
-
112.050751
Creatinine
Creatinine
ME640288
-
C00791
-
114.066322
L-proline
Proline
ME640256
-
C00148
-
116.0707
L-valine
Valine
ME640260
-
C00183
-
118.0864
L-threonine
Threonine
ME640257
-
C00188
-
120.0657
L-cysteine
Cysteine
ME640249
-
C00097
-
122.0272
Nicotinamide
Niacinamide
ME640273
-
C00153
-
123.055412
Taurine
Taurine
ME640290
-
C00245
-
126.022018
Creatine
Creatine
ME640287
-
C00300
-
132.076874
L-leucine/isoleucine
Leucine/Isoleucine
ME640252
-
C00123
-
132.1020
L-asparagine
Asparagine
ME640247
-
C00152
-
133.0602
L-aspartate
Aspartic acid
ME640248
-
C00049
-
134.0449
Adenine
Adenine
ME640264
-
C00147
-
136.061813
3-Methyleneoxindole
3-Methyleneoxindole
ME640292
-
C02796
-
146.060059
Acetylcholine
Acetylcholine
ME640299
-
C01996
-
146.117615
Spermidine
Spermidine
ME640284
-
C00315
-
146.165207
L-glutamine
Glutamine
ME640251
-
C00064
-
147.0764
L-lysine
Lysine
ME640253
-
C00047
-
147.1128
L-glutamate
Glutamic acid
ME640250
-
C00025
-
148.0605
L-methionine
Methionine
ME640254
-
C00073
-
150.0583
Guanine
Guanine
ME640266
-
C00242
-
152.056732
2-Aminomuconate
2-Aminomuconic acid
ME640297
-
C02220
-
158.044815
g-Oxalo-crotonate
4-Oxalocrotonic acid
ME640296
-
C03453
-
159.028061
Indole-3-acetaldehyde
Indoleacetaldehyde
ME640293
-
C00637
-
160.075684
L-Carnitine
Carnitine
ME640301
-
C00318
-
162.112503
D-Rhamnose
Rhamnose
ME640275
-
C01684
-
165.076004
L-Methionine S-oxide
Methionine sulfoxide
ME640291
-
C02989
-
166.053177
L-phenylalanine
Phenylalanine
ME640255
-
C00079
-
166.0856
Pyridoxal
Pyridoxal
ME640271
-
C00250
-
168.065201
N-Acetylornithine
N-Acetylornithine
ME640289
-
C00437
-
175.107681
L-arginine
Arginine
ME640246
-
C00062
-
175.1189
Indole-3-acetate
Indoleacetic acid
ME640294
-
C00954
-
176.070587
L-Citrulline
Citrulline
ME640281
-
C00327
-
176.102997
Allantoate
Allantoic acid
ME640270
-
C00499
-
177.061554
Cys-Gly
Cys-Gly
ME640278
-
C01419
-
179.048584
L-tyrosine
Tyrosine
ME640259
-
C00082
-
182.0810
Spermine
Spermine
ME640285
-
C00750
-
203.223053
Indolepyruvate
Indolepyruvate
ME640295
-
C00331
-
204.063126
acetyl-carnitine (acyl-C2)
CAR 2:0
ME640302
-
C02571
-
204.123032
L-tryptophan
Tryptophan
ME640258
-
C00078
-
205.0972
propionyl-carnitine (acyl-C3)
CAR 3:0
ME640303
-
C03017
-
218.138687
butanoyl-l-carnitine (acyl-C4)
CAR 4:0
ME640304
-
C02862
-
232.154312
Homocarnosine
Homocarnosine
ME640286
-
C00884
-
241.131165
Cytidine
Cytidine
ME640268
-
C00475
-
244.092896
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME640272
-
C00647
-
249.061249
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME640279
-
C00669
-
251.069794
D-Glucono-1-5-lactone 6-phosphate
6-Phosphonoglucono-D-lactone
ME640276
-
C01236
-
259.021362
Adenosine
Adenosine
ME640263
-
C00212
-
268.104034
5-Methylthioadenosine
5'-Methylthioadenosine
ME640310
-
C00170
-
298.096802
Sphingosine
Sphingosine
ME640298
-
C00319
-
300.289673
CMP
CMP
ME640267
-
C00055
-
324.059174
dAMP
dAMP
ME640262
-
C00360
-
332.077576
AMP
AMP
ME640261
-
C00020
-
348.070312
GMP
GMP
ME640265
-
C00144
-
364.065338
O-tetradecanoyl-L-carnitine (acyl-C14)
CAR 14:0
ME640305
-
HMDB05066
-
372.311005
Hexadecenoyl-carnitine (acyl-C16:1)
CAR 16:1
ME640307
-
HMDB06317
-
398.327179
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME640309
-
C00019
-
399.144409
L-Palmitoylcarnitine (acyl-C16)
CAR 16:0
ME640306
-
C02990
-
400.342133
O-octadecenoyl-L-carnitine (acyl-C18:1)
CAR 18:1
ME640308
-
HMDB06351
-
426.358093
Folate
Folic acid
ME640280
-
C00504
-
442.147339
Glutathione disulfide
Oxidized glutathione
ME640277
-
C00127
-
613.15979
NAD+
NAD
ME640274
-
C00003
-
664.116943
Putrescine
Putrescine
ME640283
-
C00134
-
89.107437
L-alanine
Alanine
ME640245
-
C00041
-
90.0551
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