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Return to study ST003012 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
1-3-Bisphosphoglycerate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME779287
-
C00236
-
264.952
2-Hydroxyglutarate/Citramalate
2-Hydroxyglutaric acid
ME779302
-
C02630
-
147.0293
2-Oxoglutaramate
2-Keto-glutaramic acid
ME779297
-
C00940
-
144.0292
2-Oxoglutarate
2-Oxoglutaric acid
ME779296
-
C00026
-
145.0134
3',5'-Cyclic IMP
3',5' cyclic IMP
ME779279
-
C00943
-
329.031
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione
3R,4S,5R-Trihydroxycyclohexane-1,2-dione
ME779317
-
C04287
-
159.0293
3-Sulfino-L-alanine
3-Sulfino-alanine
ME779309
-
C00606
-
152.0013
3-Sulfocatechol
3-Sulfocatechol
ME779311
-
C06336
-
188.9859
4-Pyridoxate
4-Pyridoxic acid
ME779280
-
C00847
-
182.0448
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME779313
-
C05635
-
190.0529
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...
DPA
ME779333
-
C16513
-
329.2491
(8Z-11Z-14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME779332
-
C03242
-
305.2488
Adenylosuccinic acid
Adenylsuccinic acid
ME779282
-
C03794
-
462.0687
ADP
ADP
ME779270
-
C00008
-
426.0229
AMP
AMP
ME779271
-
C00020
-
346.0558
Ascorbate
Vitamin C
ME779304
-
C00072
-
175.0246
Citrate
Citric acid
ME779295
-
C00158
-
191.0191
D-Arabitol
Arabitol
ME779294
-
C01904
-
151.0607
Decanoic acid (caprate)
Capric acid
ME779320
-
C01571
-
171.1383
D-Glucono-1-5-lactone 6-phosphate
6-Phosphonoglucono-D-lactone
ME779303
-
C01236
-
257.0078
D-Glucose
Glucose
ME779285
-
C00031
-
179.0555
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME779286
-
C00118
-
168.9891
Diphosphate
Pyrophosphate
ME779284
-
C00013
-
176.9353
Docosahexaenoic acid
Docosahexaenoic acid
ME779331
-
C06429
-
327.2332
Dodecanoic acid
Lauric acid
ME779321
-
C02679
-
199.1699
D-Rhamnose
Rhamnose
ME779293
-
C01684
-
163.061
D-Ribose
Ribose
ME779292
-
C00121
-
149.0451
Eicosapentaenoic acid
Eicosapentaenoic acid
ME779330
-
C06428
-
301.2175
Eicosatetraenoic acid
Eicosatetraenoic acid
ME779329
-
C00219
-
303.2332
Ethanolamine phosphate
Phosphoethanolamine
ME779318
-
C00346
-
140.0104
Fumarate
Fumaric acid
ME779299
-
C00122
-
115.0032
Hexadecenoic acid
Hexadecenoic acid
ME779325
-
C08362
-
253.2172
Hypotaurine
Hypotaurine
ME779308
-
C00519
-
108.011
Hypoxanthine
Hypoxanthine
ME779275
-
C00262
-
135.0293
IDP
IDP
ME779273
-
C00104
-
427.0072
Indole
Indole
ME779314
-
C00463
-
116.0491
Inosine
Inosine
ME779274
-
C00294
-
267.0731
Lactate
Lactic acid
ME779289
-
C01432
-
89.02288
L-cystine
Cystine
ME779269
-
C00491
-
239.0161
Linoleate
Linoleic acid
ME779327
-
C01595
-
279.233
L-Methionine S-oxide
Methionine sulfoxide
ME779312
-
C02989
-
164.0377
Malate
D-Malic acid
ME779300
-
C00149
-
133.0129
Maltose
Maltose
ME779290
-
C00208
-
341.1094
Mannitol
Mannitol
ME779291
-
C00392
-
181.0706
N-Acetylneuraminate
N-Acetylneuraminic acid
ME779305
-
C00270
-
308.0989
Nonanoic acid (pelargonate)
Pelargonic acid
ME779319
-
C01601
-
157.1225
Octadecanoic acid
Stearic acid
ME779323
-
C01530
-
283.2643
Octadecatrienoic acid
Octadecatrienoic acid
ME779328
-
C06427
-
277.2173
Octadecenoic acid
Octadecenoic acid
ME779326
-
C00712
-
281.2487
Oxaloacetate
Oxaloacetic acid
ME779301
-
C00036
-
131.0001
Pantothenate
Pantothenic acid
ME779306
-
C00864
-
218.1034
Phosphate
Phosphoric acid
ME779283
-
C00009
-
96.96807
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME779281
-
C00647
-
247.0454
Pyruvate
Pyruvic acid
ME779288
-
C00022
-
87.00718
quinolinic acid
Quinolinic acid
ME779315
-
C03722
-
166.0137
(S)(+)-Allantoin
Allantoin
ME779277
-
C02350
-
157.0357
Serotonin
Serotonin
ME779316
-
C00780
-
175.091
Succinate
Succinic acid
ME779298
-
C00042
-
117.0178
Taurine
Taurine
ME779307
-
C00245
-
124.006
Tetradecanoic acid
Myristic acid
ME779322
-
C06424
-
227.2012
Tetradecenoic acid
Tetradecenoic acid
ME779324
-
C08322
-
225.1856
Thiocysteine
Thiocysteine
ME779310
-
C01962
-
151.9835
Uracil
Uracil
ME779272
-
C00106
-
111.0186
Urate
Uric acid
ME779278
-
C00366
-
167.0199
Xanthine
Xanthine
ME779276
-
C00385
-
151.0252
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME779376
-
C02946
-
146.0812
5-6-Dihydrothymine
Dihydrothymine
ME779355
-
C00906
-
129.0662
5-Hydroxyisourate
5-Hydroxyisouric acid
ME779354
-
C11821
-
185.0311
(5-L-Glutamyl)-L-glutamine
gamma-Glutamylglutamine
ME779364
-
C05283
-
276.1189
5-Oxoproline
Pyroglutamic acid
ME779358
-
C01879
-
130.05
Acetylcholine
Acetylcholine
ME779385
-
C01996
-
146.1176
acyl-C10:1 (O-Decenoyl-L-carnitine)
CAR 10:1
ME779396
-
CID57357170
-
314.232
acyl-C2 (acetyl-carnitine)
CAR 2:0
ME779388
-
C02571
-
204.123
acyl-C3 (propionyl-carnitine)
CAR 3:0
ME779389
-
C03017
-
218.1386
acyl-C4 (butanoyl-l-carnitine)
CAR 4:0
ME779390
-
C02862
-
232.1543
acyl-C5:1 (Tiglylcarnitine)
CAR 5:1
ME779392
-
HMDB02366
-
244.1543
acyl-C5 (isovalerylcarnitine)
CAR 4:0;3Me
ME779391
-
C20826
-
246.17
acyl-C6 (hexanoyl-l-carnitine)
CAR 6:0
ME779393
-
HMDB00756
-
260.1855
acyl-C8:1 (octenoyl-l-carnitine)
CAR 8:1
ME779395
-
ac111
-
286.201
acyl-C8 (L-octanoylcarnitine
CAR 8:0
ME779394
-
HMDB00791
-
288.2166
Allantoate
Allantoic acid
ME779353
-
C00499
-
177.0607
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME779371
-
C06156
-
260.0528
Bilirubin
Bilirubin
ME779397
-
C00486
-
585.2685
Cadaverine
Cadaverine
ME779369
-
C01672
-
103.1235
Choline
Choline
ME779386
-
C00114
-
104.1074
Creatine
Creatine
ME779374
-
C00300
-
132.0769
Creatinine
Creatinine
ME779375
-
C00791
-
114.0665
Cys-Gly
Cys-Gly
ME779360
-
C01419
-
179.0485
Cytosine
Cytosine
ME779352
-
C00380
-
112.0508
D-Glucosamine
Glucosamine
ME779372
-
C00329
-
180.0867
Dimethylglycine
Dimethylglycine
ME779366
-
C01026
-
104.0712
Ectoine
Ectoine
ME779383
-
C06231
-
143.0818
gamma-Glutamyl-gamma-aminobutyrate
4-(Glutamylamino) butanoate
ME779363
-
C15767
-
233.1132
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME779361
-
C05695
-
313.0338
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME779362
-
C03738
-
219.0975
Glutathione
Glutathione
ME779357
-
C00051
-
308.0905
glycine
Glycine
ME779340
-
C00037
-
76.04005
g-Oxalo-crotonate
4-Oxalocrotonic acid
ME779381
-
C03453
-
159.0276
Guanidinoacetate
Guanidoacetic acid
ME779378
-
C00581
-
118.0615
Guanine
Guanine
ME779351
-
C00242
-
152.0556
L-Adrenaline
Epinephrine
ME779382
-
C00788
-
184.0961
L-alanine
Alanine
ME779334
-
C00041
-
90.05566
L-asparagine
Asparagine
ME779335
-
C00152
-
133.0607
L-aspartate
Aspartic acid
ME779336
-
C00049
-
134.0449
L-Carnitine
Carnitine
ME779387
-
C00318
-
162.1125
L-Citrulline
Citrulline
ME779368
-
C00327
-
176.1031
L-cysteine
Cysteine
ME779337
-
C00097
-
122.0273
L-glutamate
Glutamic acid
ME779338
-
C00025
-
148.0605
L-glutamine
Glutamine
ME779339
-
C00064
-
147.0762
L-histidine
Histidine
ME779341
-
C00135
-
156.0768
L-Homocysteine
Homocysteine
ME779365
-
C00155
-
136.0428
L-leucine/isoleucine
Leucine
ME779342
-
C00123
-
132.1019
L-lysine
Lysine
ME779343
-
C00047
-
147.1131
L-methionine
Methionine
ME779344
-
C00073
-
150.0584
L-proline
Proline
ME779345
-
C00148
-
116.0711
L-serine
Serine
ME779346
-
C00065
-
106.0505
L-threonine
Threonine
ME779347
-
C00188
-
120.0657
L-tryptophan
Tryptophan
ME779348
-
C00078
-
205.0973
L-tyrosine
Tyrosine
ME779349
-
C00082
-
182.0811
L-valine
Valine
ME779350
-
C00183
-
118.0867
N-Acetylornithine
N-Acetylornithine
ME779377
-
C00437
-
175.1076
Nicotinamide
Niacinamide
ME779356
-
C00153
-
123.0556
N-Methylethanolamine phosphate
N-Methylethanolamine phosphate
ME779384
-
C01210
-
156.0417
Ornithine
Ornithine
ME779367
-
C01602
-
133.0975
Phosphocreatine
Phosphocreatine
ME779373
-
C02305
-
212.043
(R)-S-Lactoylglutathione
S-Lactoylglutathione
ME779380
-
C03451
-
380.109
S-Glutathionyl-L-cysteine
S-Glutathionyl-cysteine
ME779359
-
C05526
-
427.0939
Spermidine
Spermidine
ME779370
-
C00315
-
146.1651
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME779379
-
C01157
-
132.0656
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