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Return to study ST001317 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Aminocyclopropanecarboxylate
1-Aminocyclopropanecarboxylic acid
ME307299
-
-
8.41
102.0555
2-Aminoisobutyrate
Aminoisobutyric acid
ME307293
-
-
8.02
104.0712
Beta-alanine methyl ester
-
ME307280
-
-
7.27
104.0714
Dimethylglycine
Dimethylglycine
ME307290
-
-
7.66
104.0714
Gamma-aminobutyrate
gamma-Aminobutyric acid
ME307288
-
-
7.65
104.0714
L-Serine
Serine
ME307307
-
-
8.81
106.0505
Uracil
Uracil
ME307225
-
-
2.4
113.0349
Creatinine
Creatinine
ME307303
-
-
8.51
114.0667
Dihydrouracil
Dihydrouracil
ME307218
-
-
1.74
115.0511
L-Proline
Proline
ME307272
-
-
7.18
116.0714
N-Acetylglycine
N-Acetylglycine
ME307222
-
-
2.1
118.0504
Betaine
Betaine
ME307271
-
-
7.02
118.0868
Norvaline
Norvaline
ME307279
-
-
7.26
118.0868
L-Valine/Methyl 4-Aminobutyrate
Valine
ME307270
-
-
6.91
118.087
Allothreonine/L-Threonine
-
ME307301
-
-
8.42
120.066
Homoserine
Homoserine
ME307305
-
-
8.62
120.066
3-Hydroxybenzaldehyde
3-Hydroxybenzaldehyde
ME307273
-
-
7.19
123.0453
Nicotinic acid
Nicotinic acid
ME307219
-
-
1.75
124.0399
Pyroglutamate/Oxoproline
-
ME307224
-
-
2.4
130.0507
Pipecolate
Pipecolic acid
ME307276
-
-
7.23
130.0868
cis-4-hydroxy-D-proline
cis-4-Hydroxy-D-proline
ME307297
-
-
8.39
132.0669
trans-4-hrdroxy-L-proline
trans-4-Hydroxyproline
ME307294
-
-
8.08
132.067
Norleucine
Norleucine
ME307260
-
-
6.48
132.102
Aminocaproate/Adenine
-
ME307286
-
-
7.49
132.1021
L-Isoleucine
Isoleucine
ME307257
-
-
6.19
132.1025
L-Leucine
Leucine
ME307256
-
-
6.18
132.1025
Ureidopropionate
Ureidopropionic acid
ME307233
-
-
4.11
133.0613
Asparagine
Asparagine
ME307310
-
-
9.15
133.0617
Aspartate
Aspartic acid
ME307295
-
-
8.15
134.0452
Hypoxanthine
Hypoxanthine
ME307239
-
-
4.68
137.0465
Trigonelline
Trigonelline
ME307278
-
-
7.24
138.0553
Methylpicolinate
Methyl picolinate
ME307206
-
-
1.12
138.0556
4-Aminobenzoate/Anthranilate
-
ME307210
-
-
1.33
138.0557
6-Hydroxynicotinate
6-Hydroxynicotinic acid
ME307226
-
-
2.74
140.0361
Ethanolamine phosphate
Phosphoethanolamine
ME307306
-
-
8.74
142.0268
Ectoine
Ectoine
ME307284
-
-
7.43
143.0826
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME307217
-
-
1.68
146.0817
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME307292
-
-
7.99
146.0928
L-Lysine
Lysine
ME307314
-
-
12.27
147.1132
L-Glutamic Acid
Glutamic acid
ME307298
-
-
8.4
148.0605
N-Methyl-D-aspartic acid
N-Methyl-D-aspartic acid
ME307300
-
-
8.41
148.062
Guanine
Guanine
ME307281
-
-
7.28
152.0572
Xanthine
Xanthine
ME307237
-
-
4.51
153.0414
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME307216
-
-
1.63
154.0504
3-Amino-4-Hydroxybenzoate
3-Amino-4-hydroxybenzoic acid
ME307243
-
-
5.09
154.0509
Octopamine
Octopamine
ME307302
-
-
8.5
154.0852
D-Glucuronolactone
Glucuronolactone
ME307238
-
-
4.67
159.0283
Allantoin
Allantoin
ME307252
-
-
6.04
159.0518
S-Carboxymethylcysteine
S-Carboxymethyl-cysteine
ME307231
-
-
3.99
162.0225
Aminoadipate
Aminoadipic acid
ME307296
-
-
8.32
162.0764
N-Methylglutamate
N-Methyl-glutamic acid
ME307285
-
-
7.46
162.0776
Carnitine
Carnitine
ME307316
-
-
7.32
162.1133
Nicotine
Nicotine
ME307311
-
-
9.34
163.1237
N-Acetylcysteine
N-Acetylcysteine
ME307213
-
-
1.36
164.038
L-Tyrosine
Tyrosine
ME307266
-
-
6.84
164.0715
2-Deoxy-D-Glucose
2-Deoxy-glucose
ME307263
-
-
6.51
165.0744
7-Methylguanine
7-Methylguanine
ME307268
-
-
6.87
166.073
L-Phenylalanine
Phenylalanine
ME307251
-
-
5.95
166.0877
Uric acid
Uric acid
ME307250
-
-
5.88
169.0363
N-Acetylasparagine
N-Acetylasparagine
ME307236
-
-
4.43
175.0717
L-Arginine
Arginine
ME307313
-
-
12.17
175.1194
N-Acetylaspartate
N-Acetylaspartic acid
ME307230
-
-
3.98
176.0558
Indole-3-Acetate
Indoleacetic acid
ME307209
-
-
1.28
176.0725
Citrulline
Citrulline
ME307308
-
-
8.82
176.1035
Hippurate
Hippuric acid
ME307212
-
-
1.36
180.0663
Theobromine /Theophylline/ Paraxanthine
-
ME307214
-
-
1.5
181.0727
4-Hydroxy-4-(3-pyridyl)butanoic acid
-
ME307274
-
-
7.19
182.082
1-Methyluric Acid
1-Methyluric acid
ME307241
-
-
4.79
183.0518
Methyl Vanillate
Methyl vanillate
ME307289
-
-
7.65
183.0659
Galactitol
Galactitol
ME307267
-
-
6.85
183.086
4-Pyridoxic acid
4-Pyridoxic acid
ME307232
-
-
4.07
184.0623
Phosphorylcholine
Choline phosphate
ME307312
-
-
9.75
184.0733
Kynurenic acid
Kynurenic acid
ME307227
-
-
2.83
190.0504
N-Acetylglutamate
N-Acetylglutamic acid
ME307229
-
-
3.66
190.0714
Cotinine N-oxide
Cotinine N-oxide
ME307242
-
-
4.92
193.0976
Galacturonate
Galacturonic acid
ME307275
-
-
7.21
195.0488
Caffeine
Caffeine
ME307208
-
-
1.23
195.0881
Gluconate
Gluconic acid
ME307265
-
-
6.7
197.0669
Glucose
Glucose
ME307269
-
-
6.87
203.0529
O-Acetylcarnitine
CAR 2:0
ME307248
-
-
5.45
204.1234
N6-(Delta2-Isopentenyl)-Adenine
N6-Isopentenyladenine
ME307228
-
-
3.46
204.1238
Tryptophan
Tryptophan
ME307258
-
-
6.33
205.0979
Xanthurenate
Xanthurenic acid
ME307234
-
-
4.13
206.0454
N-Acetylphenylalanine
N-Acetylphenylalanine
ME307207
-
-
1.19
208.102
3-Nitro-L-Tyrosine
Nitrotyrosine
ME307249
-
-
5.58
209.0585
Kynurenine
Kynurenine
ME307254
-
-
6.13
209.093
Pantothenate
Pantothenic acid
ME307220
-
-
1.99
220.1186
D/L N-Acetylmannosamine
N-Acetyl-mannosamine
ME307261
-
-
6.5
222.0982
Carnosine
Carnosine
ME307315
-
-
13.78
227.1159
Biopterin
Biopterin
ME307255
-
-
6.15
238.0943
Sepiapterin
Sepiapterin
ME307240
-
-
4.68
238.0944
N-Acetyltryptophan
N-Acetyl-tryptophan
ME307215
-
-
1.58
247.1083
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME307223
-
-
2.28
265.1195
Inosine
Inosine
ME307244
-
-
5.28
269.0891
1-Methyladenosine
1-Methyladenosine
ME307309
-
-
8.88
282.1192
Guanosine
Guanosine
ME307262
-
-
6.5
284.1006
Xanthosine
Xanthosine
ME307246
-
-
5.38
285.0838
Methylthioadenosine
Methylthioadenosine
ME307245
-
-
5.36
298.0973
N-Acetylneuraminate
N-Acetylneuraminic acid
ME307259
-
-
6.4
310.1136
Adenosine 2',3'-Cyclic Phosphate
2',3' cyclic AMP
ME307277
-
-
7.24
330.0604
Cyclic AMP
3',5' cyclic AMP
ME307282
-
-
7.3
330.0604
Cyclic GMP
3',5' cyclic GMP
ME307264
-
-
6.66
346.0556
Cortisol
Cortisol
ME307205
-
-
1.11
363.2164
Lactose
Lactose
ME307291
-
-
7.9
365.106
Sucrose
Sucrose
ME307283
-
-
7.32
365.1063
Trehalose
Trehalose
ME307287
-
-
7.52
365.1065
S-Hexyl-Glutathione
S-Hexyl-glutathione
ME307253
-
-
6.04
374.1737
Riboflavin
Riboflavin
ME307235
-
-
4.42
377.1464
Glycochenodeoxycholate
Glycochenodeoxycholic acid
ME307211
-
-
1.36
432.306
Didecanoyl-Glycerophosphocholine
LPC 12:0
ME307247
-
-
5.43
566.3797
Alanine
Alanine
ME307304
-
-
8.51
90.0556
2-Hydroxypyridine
2-Hydroxypyridine
ME307221
-
-
2.07
96.0448
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Hydroxybutyrate
2-Hydroxybutyric acid
ME307322
-
-
0.63
103.0395
2-Methylmaleate/Itaconate
-
ME307323
-
-
0.63
129.0188
3-Methyl-2-Oxovalerate
3-Methyl-2-oxovaleric acid
ME307342
-
-
1.28
129.0549
Ethylmalonate
Ethylmalonic acid
ME307325
-
-
0.79
131.0341
3-Hydroxybenzoate
3-Hydroxybenzoic acid
ME307345
-
-
1.76
137.0234
Salicylate
Salicylic acid
ME307361
-
-
3.87
137.0235
4-Hydroxybenzoate
4-Hydroxybenzoic acid
ME307341
-
-
1.25
137.0236
Maleate
Maleic acid
ME307318
-
-
0.42
142.9988
2-Methylglutarate
2-Methylglutaric acid
ME307335
-
-
0.96
145.0498
3-Methylglutarate/Adipate
-
ME307327
-
-
0.82
145.05
3-Methyl-2-Oxindole
3-Methyloxindole
ME307332
-
-
0.95
146.0601
2-Hydroxy-4-(Methylthio)Butanoate
2-Hydroxy-4-(methylthio)butanoic acid
ME307326
-
-
0.79
149.0252
P-Hydroxyphenylacetate/2-Hydroxyphenylacetate
-
ME307339
-
-
1.29
151.0392
Guaiacol
Guaiacol
ME307340
-
-
1.23
151.0394
3-hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME307328
-
-
0.81
152.0362
Sorbate
Sorbic acid
ME307338
-
-
1.21
157.0499
Oxoadipate
Oxoadipic acid
ME307317
-
-
0.42
159.0294
6-Carboxyhexanoate
Pimelic acid
ME307344
-
-
1.51
159.0656
Indole-3-Carboxylic acid
Indole-3-carboxylic acid
ME307356
-
-
3.57
160.0395
4-Coumarate
cis-p-Coumaric acid
ME307347
-
-
2.69
163.039
m-Coumaric acid
trans-m-Coumaric acid
ME307355
-
-
3.52
163.039
Anthranilate/4-Aminobenzoate
-
ME307351
-
-
3.06
164.0346
Ethyl Paraben
Ethylparaben
ME307367
-
-
4.56
165.0542
3-(2-Hydroxyphenyl)Propanoate
3-(2-Hydroxyphenyl)propanoic acid
ME307354
-
-
3.44
165.0548
Homogentisate
Homogentisic acid
ME307324
-
-
0.64
167.035
N-Acety-L-Leucine
N-Acetylleucine
ME307348
-
-
2.7
172.0972
Suberate
Suberic acid
ME307353
-
-
3.29
173.0813
Indole-3-Acetate
Indoleacetic acid
ME307357
-
-
3.6
174.0555
Hippurate
Hippuric acid
ME307337
-
-
1.21
178.0504
Homovanillate
Homovanillic acid
ME307343
-
-
1.47
181.0499
Hydroxyphenyllactate
Hydroxyphenyllactic acid
ME307329
-
-
0.93
181.0499
Phenylacetate
Phenyl acetate
ME307330
-
-
0.93
181.0499
Azelate
Azelaic acid
ME307363
-
-
4.12
187.097
Kynurenate
Kynurenic acid
ME307336
-
-
1.04
188.0347
Caprylate
Caprylic acid
ME307364
-
-
4.31
189.1122
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME307333
-
-
0.95
190.0502
Oxoglutarate
2-Oxoglutaric acid
ME307319
-
-
0.45
191.0196
MEP (Mono-ethyl phthalate)
Monoethyl phthalate
ME307362
-
-
3.98
193.0488
Ferulate
trans-Ferulic acid
ME307352
-
-
3.13
193.0492
Butyl Paraben
Butylparaben
ME307381
-
-
5.68
193.0862
3-Methoxytyramine
3-Methoxytyramine
ME307388
-
-
6.54
194.0815
3-Methoxy-4-Hydroxymandelate
Vanillylmandelic acid
ME307320
-
-
0.63
197.0465
Omega-Hydroxydodecanoate
12-Hydroxy lauric acid
ME307378
-
-
5.63
197.1534
Laurate
Lauric acid
ME307393
-
-
8.22
199.1694
Sebacic acid
Sebacic acid
ME307368
-
-
4.66
201.1125
Xanthurenate
Xanthurenic acid
ME307334
-
-
0.95
204.0295
Indole-3-Ethanol
Tryptophanol
ME307350
-
-
2.97
206.0812
N-Acetylphenylalanine
N-Acetylphenylalanine
ME307349
-
-
2.97
206.0812
Indoxyl Sulfate
Indoxyl sulfate
ME307331
-
-
0.9
212.0018
10-Hydroxydecanoate
10-Hydroxydecanoic acid
ME307369
-
-
4.77
215.127
2-Undecanone
2-Undecanone
ME307379
-
-
5.63
215.1641
4-Quinolinecarboxylate
4-Quinolinecarboxylic acid
ME307321
-
-
0.63
218.0483
MiBP (Mono-isobutyl phthalate)/MBP (Mono-n-butyl p...
Monoisobutyl phthalate
ME307372
-
-
5.22
221.0806
Salsolinol
Salsolinol
ME307387
-
-
6.36
224.092
Cis-Resveratrol
cis-Resveratrol
ME307365
-
-
4.44
227.0726
Myristate
Myristic acid
ME307395
-
-
9.07
227.2007
Dodecanedioic acid
Dodecanedioic acid
ME307374
-
-
5.53
229.1437
2OH-MBP (Mono(2-hydroxy-isobutyl)phthalate)
-
ME307358
-
-
3.65
237.0767
Palmitoleic acid
Palmitoleic acid
ME307398
-
-
9.39
253.2163
Palmitate
Palmitic acid
ME307400
-
-
9.85
255.232
Estriol
Estriol
ME307366
-
-
4.47
269.1484
Heptadecanoate
Margaric acid
ME307403
-
-
10.2
269.2473
Hexadecanol
Cetyl alcohol
ME307404
-
-
10.2
269.2473
MEHP (Mono-2-ethylhexyl phthalate)
Monoethylhexyl phthalic acid
ME307390
-
-
7.15
277.1436
Linoleate
Linoleic acid
ME307399
-
-
9.58
279.2318
Petroselinate/Elaidate/Oleate
-
ME307402
-
-
10.03
281.2476
Stearic acid
Stearic acid
ME307405
-
-
10.54
283.2633
MiNP (Mono-isononyl phthalate)
Monoisononyl phthalate
ME307391
-
-
7.46
291.1601
Bisphenol S
4,4'-Sulfonyldiphenol
ME307359
-
-
3.69
295.0275
Eicosapentaenoate
Eicosapentaenoic acid
ME307397
-
-
9.22
301.2153
MECPP (Mono-(2-ethyl-5-carboxypentyl) phthalate)
Mono-(2-ethyl-5-carboxypentyl) phthalate
ME307371
-
-
5.01
307.1186
OH-MiNP (7-OH-(Mono-methyl-octyl) phthalate)
-
ME307375
-
-
5.54
307.1536
Oleamide
Oleamide
ME307396
-
-
9.17
308.2552
Arachidate
Arachidic acid
ME307406
-
-
11.15
311.2943
cx-MiDP (MCNP) (Mono(2,7-dimethyl-7-carboxyheptyl)...
-
ME307380
-
-
5.65
335.1488
Erucate
cis-Erucic acid
ME307407
-
-
11.23
337.3096
Dehydroepiandrosterone Sulfate
Dehydroepiandrosterone sulfate
ME307370
-
-
4.82
367.16
Riboflavin
Riboflavin
ME307346
-
-
1.78
375.1292
Rosmarinate
Rosmarinic acid
ME307360
-
-
3.85
387.0727
Pregnenolone Sulfate
Pregnenolone sulfate
ME307373
-
-
5.41
395.1951
Cholate
Cholic acid
ME307385
-
-
6.1
407.2788
Glycolithocholic acid
Glycolithocholic acid
ME307389
-
-
6.96
432.3099
Ursodeoxycholic acid
Ursodeoxycholic acid
ME307384
-
-
6.09
437.2887
Hyodeoxycholic acid
Hyodeoxycholic acid
ME307386
-
-
6.19
437.289
Hyocholic Acid
Hyocholic acid
ME307383
-
-
5.95
453.2827
Glycocholate
Glycocholic acid
ME307377
-
-
5.61
464.3001
Cholesterol Sulfate
Cholesterol sulfate
ME307401
-
-
9.98
465.3027
S-Budesonide
-
ME307376
-
-
5.55
475.231
Taurodeoxycholic acid
Taurodeoxycholic acid
ME307382
-
-
5.78
498.2874
LysoPC(16:0)
LPC 16:0
ME307392
-
-
8.03
540.3266
LysoPC(18:0)
LPC 18:0
ME307394
-
-
8.75
568.3583
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