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Return to study ST001178 main page
Analysis: None (Direct infusion) POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Aminocyclopropane-1-carboxylic acid
1-Aminocyclopropanecarboxylic acid
ME281251
-
C01234
-
102.056
1-Methylhistidine
1-Methylhistidine
ME281300
-
-
-
170.091
1-Methylnicotinamide
1-Methyl nicotinamide
ME281281
-
C02918
-
137.07
2-Aminoadipic acid
alpha-Aminoadipic acid
ME281295
-
C00956
-
162.076
2-Aminobutyric acid
2-Aminobutyric acid
ME281254
-
C02261,C02356
-
104.07
2-Aminoisobutyric acid
Aminoisobutyric acid
ME281253
-
C03665
-
104.07
3-Aminoisobutyric acid
3-Aminoisobutanoic acid
ME281256
-
C03284,C05145
-
104.07
3-Guanidinopropionic acid
3-Guanidinopropanoic acid
ME281274
-
C03065
-
132.077
3-Methylhistidine
3-Methylhistidine
ME281301
-
C01152
-
170.091
4-Guanidinobutyric acid
4-Guanidinobutanoic acid
ME281282
-
C01035
-
146.092
5-Aminovaleric acid
5-Aminopentanoic acid
ME281266
-
C00431
-
118.086
Adenosine
Adenosine
ME281325
-
C00212
-
268.104
Ala
Alanine
ME281247
-
C00041,C00133,C01401
-
90.055
Aminoacetone
Aminoacetone
ME281244
-
C01888
-
74.059
Arg
Arginine
ME281304
-
C00062,C00792
-
175.118
Argininosuccinic acid
Argininosuccinic acid
ME281330
-
C03406
-
291.128
Asn
Asparagine
ME281277
-
C00152,C01905,C16438
-
133.06
Asp
Aspartic acid
ME281279
-
C00049,C00402,C16433
-
134.044
Betaine
Betaine
ME281265
-
C00719
-
118.086
Butyrylcarnitine
CAR 4:0
ME281319
-
C02862
-
232.152
Carnitine
Carnitine
ME281296
-
C00318,C00487,C15025
-
162.111
Carnosine
Carnosine
ME281318
-
C00386
-
227.112
Choline
Choline
ME281257
-
C00114
-
104.106
Citrulline
Citrulline
ME281305
-
C00327
-
176.102
Creatine
Creatine
ME281273
-
C00300
-
132.076
Creatinine
Creatinine
ME281261
-
C00791
-
114.066
Cyclohexylamine
Cyclohexylamine
ME281250
-
C00571
-
100.112
Cys
Cysteine
ME281268
-
C00097,C00736,C00793
-
122.026
Cystathionine
Cystathionine
ME281317
-
C00542,C02291
-
223.074
Diethanolamine
Diethanolamine
ME281259
-
C06772
-
106.086
Dopamine
Dopamine
ME281291
-
C03758
-
154.087
Ethanolamine
Ethanolamine
ME281243
-
C00189
-
62.061
GABA
gamma-Aminobutyric acid
ME281255
-
C00334
-
104.07
Gln
Glutamine
ME281285
-
C00064,C00303,C00819
-
147.075
Glu
Glutamic acid
ME281287
-
C00025,C00217,C00302
-
148.059
Glu-Glu
Glu-Glu
ME281327
-
C01425
-
277.102
Glutathione (GSH)
Glutathione
ME281333
-
C00051
-
308.089
Glutathione (GSSG)_divalent
Oxidized glutathione
ME281332
-
C00127
-
307.081
Gly
Glycine
ME281245
-
C00037
-
76.039
Gly-Asp
Gly-Asp
ME281310
-
-
-
191.065
Glycerol
Glycerol
ME281249
-
C00116
-
93.054
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME281323
-
C00670
-
258.109
Guanidoacetic acid
Guanidoacetic acid
ME281263
-
C00581
-
118.061
Guanosine
Guanosine
ME281328
-
C00387
-
284.095
His
Histidine
ME281292
-
C00135,C00768,C06419
-
156.076
Homoserinelactone
Homoserine lactone
ME281252
-
-
-
102.056
Hydroxyproline
Hydroxyproline
ME281272
-
C01157
-
132.065
Hypotaurine
Hypotaurine
ME281260
-
C00519
-
110.027
Hypoxanthine
Hypoxanthine
ME281280
-
C00262
-
137.046
Ile
Isoleucine
ME281275
-
C00407,C06418,C16434
-
132.101
Inosine
Inosine
ME281326
-
C00294
-
269.088
Leu
Leucine
ME281276
-
C00123,C01570,C16439
-
132.101
Lipoamide
Lipoamide
ME281315
-
C00248
-
206.069
Lys
Lysine
ME281286
-
C00047,C00739,C16440
-
147.111
Met
Methionine
ME281289
-
C00073,C00855,C01733
-
150.057
Methionine sulfoxide
Methionine sulfoxide
ME281297
-
C02989
-
166.052
N5-Ethylglutamine
N(5)-Ethyl-glutamine
ME281303
-
C01047
-
175.107
N6-Methyllysine
N(6)-Methyllysine
ME281293
-
C02728
-
161.13
N8-Acetylspermidine
N8-Acetylspermidine
ME281308
-
C01029
-
188.175
N-Acetyllysine
N(2)-Acetyllysine
ME281309
-
C12989
-
189.122
N-Acetylornithine
N-Acetylornithine
ME281302
-
C00437
-
175.107
N-Acetylserine
N-Acetylserine
ME281288
-
-
-
148.059
Nicotinamide
Niacinamide
ME281269
-
C00153
-
123.054
O-Acetylcarnitine
CAR 2:0
ME281313
-
C02571
-
204.122
O-Acetylhomoserine
O-Acetyl-homoserine
ME281294
-
C01077
-
162.076
Octopamine
Octopamine
ME281290
-
C04227
-
154.087
Ophthalmic acid
Ophthalmic acid
ME281329
-
-
-
290.133
Ornithine
Ornithine
ME281278
-
C00077,C00515,C01602
-
133.097
Phe
Phenylalanine
ME281298
-
C00079,C02057,C02265
-
166.085
Phosphorylcholine
Choline phosphate
ME281307
-
C00588
-
184.072
Pro
Proline
ME281262
-
C00148,C00763,C16435
-
116.07
Putrescine
Putrescine
ME281246
-
C00134
-
89.107
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME281320
-
C00647
-
249.063
Pyridoxine
Pyridoxine
ME281299
-
C00314
-
170.08
S-Adenosylmethionine
S-Adenosylmethionine
ME281337
-
C00019
-
399.143
SDMA
Symmetric dimethylarginine
ME281311
-
-
-
203.149
Ser
Serine
ME281258
-
C00065,C00716,C00740
-
106.049
S-Lactoylglutathione
S-Lactoylglutathione
ME281336
-
C03451
-
380.112
Spermidine
Spermidine
ME281284
-
C00315
-
146.164
Spermine
Spermine
ME281312
-
C00750
-
203.222
Taurine
Taurine
ME281270
-
C00245
-
126.021
Thiamine
Thiamine
ME281324
-
C00378
-
265.111
Thr
Threonine
ME281267
-
C00188,C00820
-
120.065
Trp
Tryptophan
ME281314
-
C00078,C00525,C00806
-
205.096
Tyr
Tyrosine
ME281306
-
C00082,C01536,C06420
-
182.08
Urea
Urea
ME281242
-
C00086
-
61.04
Val
Valine
ME281264
-
C00183,C06417,C16436
-
118.085
β-Ala
beta-Alanine
ME281248
-
C00099
-
90.055
γ-Butyrobetaine
3-Dehydroxycarnitine
ME281283
-
C01181
-
146.116
γ-Glu-Cys
gamma-Glutamylcysteine
ME281321
-
C00669
-
251.068
γ-Glu-Val-Gly
Glu-Val-Gly
ME281331
-
-
-
304.149
Analysis: None (Direct infusion) NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,3-Diphosphoglyceric acid
2,3-Diphosphoglyceric acid
ME281401
-
C01159
-
264.953
2'-CMP
-
ME281410
-
C03104
-
322.045
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME281358
-
C02630,C01087,C03196
-
147.03
2-Oxoglutaric acid
2-Oxoglutaric acid
ME281357
-
C00026
-
145.015
2-Oxoisovaleric acid
Ketoisovaleric acid
ME281344
-
C00141
-
115.041
2-Phosphoglyceric acid
2-Phosphoglyceric acid
ME281374
-
C00631
-
184.986
3'-CMP
3'-CMP
ME281409
-
C05822
-
322.045
3-Hydroxy-3-methylglutaric acid
3-Hydroxymethylglutaric acid
ME281360
-
C03761
-
161.046
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME281340
-
C01089,C03197
-
103.04
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME281350
-
C00671,C03465
-
129.057
3-Phosphoglyceric acid
3-Phosphoglyceric acid
ME281373
-
C00197
-
184.986
4-Methyl-2-oxovaleric acid
Ketoleucine
ME281349
-
C00233
-
129.057
5-Aminoimidazole-4-carboxamide ribotide
AICAR
ME281416
-
C04677
-
337.054
5-Oxoproline
Pyroglutamic acid
ME281348
-
C01879
-
128.036
6-Phosphogluconic acid
6-Phosphogluconic acid
ME281402
-
C00345
-
275.018
Acetyl CoA_divalent
Acetyl-CoA
ME281428
-
C00024
-
403.558
Adenosine 5'-phosphosulfate
Adenosine phosphosulfate
ME281430
-
C00224
-
426.015
ADP
ADP
ME281431
-
C00008
-
426.023
ADP-glucose
ADP-glucose
ME281445
-
C00498
-
588.078
AMP
AMP
ME281418
-
C00020
-
346.058
ATP
ATP
ME281439
-
C00002
-
505.989
cAMP
3',5' cyclic AMP
ME281414
-
C00575
-
328.045
CDP
CDP
ME281426
-
C00112
-
402.012
cis-Aconitic acid
cis-Aconitic acid
ME281370
-
C00417
-
173.01
Citric acid
Citric acid
ME281378
-
C00158
-
191.02
CMP
CMP
ME281411
-
C00055
-
322.046
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME281452
-
C00128
-
613.141
CoA_divalent
Coenzyme A
ME281423
-
C00010
-
382.551
CTP
CTP
ME281437
-
C00063
-
481.978
dCTP
dCTP
ME281435
-
C00458
-
465.985
Decanoic acid
Capric acid
ME281369
-
C01571
-
171.14
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME281367
-
C00111
-
168.992
dTDP-glucose
dTDP-glucose
ME281441
-
C00842
-
563.07
dTTP
dTTP
ME281436
-
C00459
-
480.983
Ethanolamine phosphate
Phosphoethanolamine
ME281354
-
C00346
-
140.013
FAD_divalent
FAD
ME281425
-
C00016
-
391.572
Fructose 1,6-diphosphate
Fructose 1,6-bisphosphate
ME281417
-
C00354
-
338.99
Fructose 6-phosphate
Fructose 6-phosphate
ME281395
-
C05345,C00085
-
259.024
Fumaric acid
Fumaric acid
ME281343
-
C00122
-
115.004
Galacturonic acid-1
Galacturonic acid
ME281381
-
-
-
193.036
Galacturonic acid-2
Galacturonic acid
ME281383
-
-
-
193.036
GDP
GDP
ME281432
-
C00035
-
442.018
GDP-fucose
GDP-L-fucose
ME281446
-
C00325
-
588.078
GDP-galactose
GDP-D-galactose
ME281449
-
C02280
-
604.07
GDP-glucose
GDP-glucose
ME281447
-
C00394
-
604.07
GDP-mannose
GDP-mannose
ME281448
-
C00096
-
604.07
Gluconic acid
Gluconic acid
ME281384
-
C00257
-
195.052
Glucose 1-phosphate
Glucose 1-phosphate
ME281393
-
C00103
-
259.024
Glucose 6-phosphate
Glucose 6-phosphate
ME281394
-
C00668,C01172,C00092
-
259.024
Glucuronic acid-1
Glucuronic acid
ME281380
-
-
-
193.036
Glucuronic acid-2
Glucuronic acid
ME281382
-
-
-
193.036
Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME281366
-
C00118,C00661
-
168.991
Glyceric acid
Glyceric acid
ME281341
-
C00258
-
105.019
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME281368
-
C00093
-
171.007
GMP
GMP
ME281420
-
C00144
-
362.052
GTP
GTP
ME281440
-
C00044
-
521.986
Hexanoic acid
Caproic acid
ME281345
-
C01585
-
115.077
HMG CoA_divalent
3-Hydroxy-3-methylglutaryl-CoA
ME281434
-
C00356
-
454.572
IMP
IMP
ME281419
-
C00130
-
347.04
Isethionic acid
2-Hydroxyethanesulfonate
ME281347
-
C05123
-
124.992
Isocitric acid
Isocitric acid
ME281377
-
C00311
-
191.019
Lactic acid
Lactic acid
ME281339
-
C00186,C00256,C01432
-
89.025
Lauric acid
Lauric acid
ME281385
-
C02679
-
199.171
Malic acid
Malic acid
ME281352
-
C00149,C00497,C00711
-
133.015
myo-Inositol 1-phosphate
-
ME281396
-
C01177
-
259.024
myo-Inositol 2-phosphate
myo-Inositol 2-phosphate
ME281398
-
-
-
259.024
myo-Inositol 3-phosphate
Inositol 3-phosphate
ME281397
-
C04006
-
259.024
N-Acetylcysteine
N-Acetylcysteine
ME281361
-
C06809
-
162.023
N-Acetylglucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME281405
-
C04256
-
300.05
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME281406
-
C00357
-
300.05
N-Acetylglutamic acid
N-Acetylglutamic acid
ME281376
-
C00624
-
188.057
N-Acetylglutamine
N-Acetylglutamine
ME281375
-
-
-
187.073
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME281407
-
C00270
-
308.101
N-Acetyl-β-alanine
N-Acetyl-beta-alanine
ME281351
-
C01073
-
130.052
NAD+
NAD
ME281453
-
C00003
-
662.104
NADH
NADH
ME281454
-
C00004
-
664.12
NADP+
NADP
ME281455
-
C00006
-
742.07
NADPH_divalent
NADPH
ME281422
-
C00005
-
371.54
N-Carbamoylaspartic acid
N-Carbamoylaspartic acid
ME281371
-
C00438
-
175.036
N-Glycolylneuraminic acid
N-Glycolylneuraminic acid
ME281413
-
C03410
-
324.095
Octanoic acid
Caprylic acid
ME281355
-
C06423
-
143.107
O-Phosphoserine
Phosphoserine
ME281372
-
C01005
-
184.003
O-Succinylhomoserine
o-Succinylhomoserine
ME281387
-
C01118
-
218.068
Pantothenic acid
Pantothenic acid
ME281388
-
C00864
-
218.105
Pelargonic acid
Pelargonic acid
ME281359
-
C01601
-
157.123
Phosphocreatine
Phosphocreatine
ME281386
-
C02305
-
210.029
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME281364
-
C00074
-
166.975
Phytic acid_divalent
Myo-inositol hexakisphosphate
ME281415
-
C01204
-
328.924
PRPP
Phosphoribosyl pyrophosphate
ME281424
-
C00119
-
388.945
Pyruvic acid
Pyruvic acid
ME281338
-
C00022
-
87.009
Quinic acid
Quinic acid
ME281379
-
C00296
-
191.058
Rhein
Rhein
ME281403
-
C10401
-
283.024
Ribose 5-phosphate
Ribose 5-phosphate
ME281390
-
C00117
-
229.012
Ribulose 1,5-diphosphate
Ribulose 1,5-bisphosphate
ME281408
-
C01182
-
308.979
Ribulose 5-phosphate
Ribulose 5-phosphate
ME281391
-
C00199,C01101
-
229.012
Sedoheptulose 7-phosphate
Sedoheptulose 7-phosphate
ME281404
-
C05382
-
289.035
Sorbitol 6-phosphate
Pseudouridine
ME281400
-
C01096
-
261.038
Succinic acid
Succinic acid
ME281346
-
C00042
-
117.02
Sulfotyrosine
Sulfotyrosine
ME281399
-
-
-
260.024
Terephthalic acid
Terephthalic acid
ME281362
-
C06337
-
165.02
Thiamine diphosphate
Thiamine diphosphate
ME281429
-
C00068
-
423.031
Threonic acid
Threonic acid
ME281353
-
C01620
-
135.031
UDP
UDP
ME281427
-
C00015
-
402.997
UDP-galactose
UDP-galactose
ME281443
-
C00052
-
565.05
UDP-glucose
UDP-glucose
ME281442
-
C00029
-
565.05
UDP-glucuronic acid
UDP-glucuronic acid
ME281444
-
C00167
-
579.029
UDP-N-acetylgalactosamine
UDP-N-acetylgalactosamine
ME281450
-
C00203
-
606.076
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME281451
-
C00043
-
606.076
UMP
UMP
ME281412
-
C00105
-
323.03
Uric acid
Uric acid
ME281365
-
C00366
-
167.022
UTP
UTP
ME281438
-
C00075
-
482.963
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