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Return to study ST002292 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
Cysteinesulfinic acid
3-Sulfino-alanine
ME549205
-
cpd:C00606
-
-
Hydroxylysine
5-Hydroxylysine
ME549233
-
cpd:C16741
-
-
5-Methylcytosine
5-Methylcytosine
ME549175
-
cpd:C02376
-
-
6-Methyladenine
6-Methyladenine
ME549176
-
cpd:C08434
-
-
Acetylcholine
Acetylcholine
ME549178
-
cpd:C01996
-
-
Adenine
Adenine
ME549180
-
cpd:C00147
-
-
Adenosine
Adenosine
ME549181
-
cpd:C00212
-
-
Alanine
Alanine
ME549184
-
cpd:C00041
-
-
Aminobutyric Acid
Aminobutyric acid
ME549185
-
cpd:C00334
-
-
Anserine
Anserine
ME549186
-
cpd:C01262
-
-
Arginine
Arginine
ME549187
-
cpd:C00062
-
-
Argininosuccinic Acid
Argininosuccinic acid
ME549188
-
cpd:C03406
-
-
Asparagine
Asparagine
ME549190
-
cpd:C00152
-
-
Aspartic acid
Aspartic acid
ME549191
-
cpd:C00049
-
-
beta-Alanine
beta-Alanine
ME549192
-
cpd:C00099
-
-
Betaine
Betaine
ME549194
-
cpd:C00719
-
-
Betonicine
Betonicine
ME549195
-
cpd:C08269
-
-
Acetyl-L-carnitine
CAR 2:0
ME549177
-
cpd:C02571
-
-
Propionyl-L-carnitine
CAR 3:0
ME549251
-
cpd:C03017
-
-
Butyryl-L-carnitine
CAR 4:0
ME549196
-
NA
-
-
Methylmalonyl carnitine
CAR DC3:0;2Me
ME549241
-
NA
-
-
Carnitine
Carnitine
ME549197
-
cpd:C00487
-
-
Carnosine
Carnosine
ME549198
-
cpd:C00386
-
-
Choline
Choline
ME549200
-
cpd:C00114
-
-
trans Hydroxyl proline
cis-3-Hydroxyproline
ME549260
-
cpd:C01157
-
-
Citrulline
Citrulline
ME549201
-
cpd:C00327
-
-
Creatine
Creatine
ME549202
-
cpd:C00300
-
-
Cys-Gly oxidized
Cys-Gly
ME549203
-
NA
-
-
Cystathionine
Cystathionine
ME549204
-
cpd:C02291
-
-
Cystine
Cystine
ME549206
-
cpd:C00491
-
-
Cytidine
Cytidine
ME549207
-
cpd:C00475
-
-
Cytosine
Cytosine
ME549208
-
cpd:C00380
-
-
Deoxyadenosine
Deoxyadenosine
ME549209
-
cpd:C00559
-
-
Dimethyl Glycine
Dimethylglycine
ME549210
-
cpd:C01026
-
-
Dimethylsulfonioacetate (DMS-Ac)
(Dimethylsulfonio)acetate
ME549211
-
cpd:C03392
-
-
Ectoine
Ectoine
ME549213
-
cpd:C06231
-
-
Ergothioneine
Ergothioneine
ME549214
-
cpd:C05570
-
-
Riboflavin Monophosphate
FMN
ME549253
-
cpd:C00061
-
-
Glucosamine
Glucosamine
ME549215
-
NA
-
-
Glucosylglycerol
Glucosylglycerol
ME549216
-
cpd:C11546
-
-
Glutamylphenylalanine
Glu-Phe
ME549219
-
NA
-
-
Glutamic acid
Glutamic acid
ME549217
-
cpd:C00025
-
-
Glutamine
Glutamine
ME549218
-
cpd:C00064
-
-
Glycine
Glycine
ME549222
-
cpd:C00037
-
-
Gonyol
Gonyol
ME549223
-
NA
-
-
Guanine
Guanine
ME549224
-
cpd:C00242
-
-
Guanosine
Guanosine
ME549225
-
cpd:C00387
-
-
Histidine
Histidine
ME549226
-
cpd:C00135
-
-
Homarine
Homarine
ME549227
-
NA
-
-
Homocystine
Homocystine
ME549229
-
cpd:C01817
-
-
Homoserine
Homoserine
ME549230
-
cpd:C00263
-
-
Hordenine
Hordenine
ME549231
-
cpd:C06199
-
-
Hydroxyectoine
Hydroxyectoine
ME549232
-
cpd:C16432
-
-
Hypoxanthine
Hypoxanthine
ME549234
-
cpd:C00262
-
-
beta-Glutamic acid
Isoglutamic acid
ME549193
-
NA
-
-
Isoleucine
Isoleucine
ME549235
-
cpd:C00407
-
-
Leucine
Leucine
ME549236
-
cpd:C00123
-
-
Homocysteine Thiolactone
L-Homocysteine thiolactone
ME549228
-
NA
-
-
Lysine
Lysine
ME549237
-
cpd:C00047
-
-
Melamine
Melamine
ME549238
-
cpd:C08737
-
-
Methionine
Methionine
ME549240
-
cpd:C00073
-
-
Methionine Sulfoxide
Methionine sulfoxide
ME549239
-
cpd:C02989
-
-
Muramic Acid
Muramic acid
ME549242
-
cpd:C06470
-
-
N(e)-Acetyl-Lysine
N6-Acetyllysine
ME549247
-
cpd:C02727
-
-
Trimethyl-L-lysine
N-6-Trimethyllysine
ME549262
-
cpd:C03793
-
-
N-Acetylglucosamine
N-Acetyl-D-glucosamine
ME549244
-
cpd:C00140
-
-
Acetylglutamic acid
N-Acetyl-mannosamine
ME549179
-
cpd:C00624
-
-
N-Acetylmuramic acid
N-Acetylmuramic acid
ME549245
-
cpd:C02713
-
-
N-Acetyl-Serine
N-Acetylserine
ME549243
-
cpd:C00979
-
-
N-methyltaurine
N-Methyltaurine
ME549246
-
NA
-
-
Chitobiose
N,N'-Diacetylchitobiose
ME549199
-
cpd:C01674
-
-
Ophthalmic Acid
Ophthalmic acid
ME549248
-
NA
-
-
Ornithine
Ornithine
ME549249
-
cpd:C00077
-
-
Glutathione Disulfide
Oxidized glutathione
ME549220
-
cpd:C00127
-
-
Proline
Proline
ME549250
-
cpd:C00148
-
-
Pyridinedicarboxylic acid
Pyridinedicarboxylic acid
ME549252
-
cpd:C03722
-
-
Adenosyl Homocysteine
S-Adenosylhomocysteine
ME549182
-
cpd:C00021
-
-
Adenosyl Methionine
S-Adenosylmethionine
ME549183
-
cpd:C00019
-
-
Sarcosine
Sarcosine
ME549254
-
cpd:C00213
-
-
Serine
Serine
ME549255
-
cpd:C00065
-
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME549221
-
cpd:C00670
-
-
DMSP
S,S-Dimethyl-beta-propiothetin
ME549212
-
cpd:C04022
-
-
Stachydrine hydrochloride
Stachydrine
ME549256
-
cpd:C10172
-
-
Succinylglycine
Succinylglycine
ME549257
-
NA
-
-
Thiamine monophosphate
Thiamine monophosphate
ME549258
-
cpd:C01081
-
-
Threonine
Threonine
ME549259
-
cpd:C00188
-
-
Trigonelline
Trigonelline
ME549261
-
cpd:C01004
-
-
Trimethylamine
Trimethylamine
ME549264
-
cpd:C00565
-
-
Trimethylamine N-oxide
Trimethylamine N-oxide
ME549263
-
cpd:C01104
-
-
Turicine
Turicine
ME549266
-
cpd:C21513
-
-
Tyrosine
Tyrosine
ME549267
-
cpd:C00082
-
-
Valine
Valine
ME549268
-
cpd:C00183
-
-
(3-Carboxypropyl)trimethylammonium (TMAB)
-
ME549173
-
NA
-
-
4-Hydroxyisoleucine
-
ME549174
-
cpd:C20802
-
-
Arsenobetaine
-
ME549189
-
cpd:C19331
-
-
PQS
-
ME549269
-
cpd:C11848
-
-
Trimethylammonium Propionate (TMAP)
-
ME549265
-
cpd:C08263
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Hydroxy-4-(methylthio)butyric_acid
2-Hydroxy-4-(methylthio)butanoic acid
ME549270
-
NA
-
-
Isethionic Acid
2-Hydroxyethanesulfonate
ME549300
-
cpd:C05123
-
-
Ketoglutaric Acid
2-Oxoglutaric acid
ME549302
-
cpd:C00026
-
-
DHPS
(2R)-3-sulfopropanediol
ME549287
-
cpd:C19675
-
-
cAMP
3',5' cyclic AMP
ME549281
-
cpd:C00575
-
-
cGMP
3',5' cyclic GMP
ME549283
-
cpd:C00942
-
-
Cysteinesulfinic acid
3-Sulfino-alanine
ME549286
-
cpd:C00606
-
-
3-Sulfopyruvic Acid
3-Sulfopyruvic acid
ME549271
-
cpd:C05528
-
-
Allopurinol
Allopurinol
ME549276
-
NA
-
-
AMP
AMP
ME549278
-
cpd:C00020
-
-
Anserine
Anserine
ME549279
-
cpd:C01262
-
-
Carnosine
Carnosine
ME549282
-
cpd:C00386
-
-
Amino Propanesulfonic Acid
Cerebril
ME549277
-
NA
-
-
Aconitic Acid
cis-Aconitic acid
ME549275
-
cpd:C00417
-
-
Cysteic Acid
Cysteic acid
ME549285
-
cpd:C00506
-
-
Riboflavin Monophosphate
FMN
ME549312
-
cpd:C00061
-
-
Fructose 6 phosphate
Fructose 6-phosphate
ME549290
-
cpd:C00085
-
-
Glucose 1 phosphate
Glucose 1-phosphate
ME549291
-
cpd:C00103
-
-
Glucose 6 phosphate
Glucose 6-phosphate
ME549292
-
cpd:C00092
-
-
Glutamylphenylalanine
Glu-Phe
ME549293
-
NA
-
-
GMP
GMP
ME549295
-
cpd:C00144
-
-
Hypoxanthine
Hypoxanthine
ME549296
-
cpd:C00262
-
-
Indole 3 carbinol
Indole-3-carbinol
ME549298
-
NA
-
-
Inosine
Inosine
ME549299
-
cpd:C00294
-
-
Lipoic Acid
Lipoic acid
ME549304
-
cpd:C00725
-
-
Malic Acid
Malic acid
ME549305
-
cpd:C00149
-
-
Acetylglycine
N-Acetylglycine
ME549274
-
NA
-
-
Acetylglutamic acid
N-Acetyl-mannosamine
ME549273
-
cpd:C00624
-
-
N-Acetylmuramic acid
N-Acetylmuramic acid
ME549307
-
cpd:C02713
-
-
NAD
NAD+
ME549308
-
cpd:C00003
-
-
Butyrylglycine
N-Butyrylglycine
ME549280
-
NA
-
-
Propionylglycine
Propionylglycine
ME549310
-
NA
-
-
L-Pyroglutamic acid
Pyroglutamic acid
ME549303
-
cpd:C01879
-
-
Ribose 5 phosphate
Ribose 5-phosphate
ME549313
-
cpd:C00117
-
-
Salicylic Acid
Salicylic acid
ME549314
-
cpd:C00805
-
-
glycerol 3 phosphate
sn-Glycero-3-phosphate
ME549294
-
cpd:C00093
-
-
Succinic semialdehyde
Succinic acid semialdehyde
ME549315
-
cpd:C00232
-
-
Sulfoacetic Acid
Sulfoacetic acid
ME549317
-
cpd:C14179
-
-
Sulfolactic Acid
Sulfolactic acid
ME549318
-
cpd:C11537
-
-
Taurine
Taurine
ME549319
-
cpd:C00245
-
-
Threonic acid
Threonic acid
ME549320
-
NA
-
-
Thymidine
Thymidine
ME549321
-
cpd:C00214
-
-
Thymine
Thymine
ME549322
-
cpd:C00178
-
-
UDP-glucosamine
UDP-glucosamine
ME549323
-
cpd:C00043
-
-
UDP-glucose
UDP-glucose
ME549324
-
cpd:C00029
-
-
Uracil
Uracil
ME549325
-
cpd:C00106
-
-
Uridine
Uridine
ME549326
-
cpd:C00299
-
-
Imidazoleacrylic Acid
Urocanic acid
ME549297
-
cpd:C00785
-
-
4-Hydroxyisoleucine
-
ME549272
-
cpd:C20802
-
-
Cyclic diGMP
-
ME549284
-
cpd:C16463
-
-
Ethanesulfonic Acid
-
ME549288
-
NA
-
-
Ethyl Dihydroxybenzoate
-
ME549289
-
NA
-
-
Keto-?-(methylthio)butyric acid
-
ME549301
-
NA
-
-
MESNA (Sodium 2-mercaptoethanesulfonate)
-
ME549306
-
NA
-
-
Propanesulfonate
-
ME549309
-
NA
-
-
Resorcylic Acid
-
ME549311
-
cpd:C00628
-
-
Sulfanilic Acid
-
ME549316
-
cpd:C06335
-
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-Indoleacetonitrile
3-Indoleacetonitrile
ME549328
-
cpd:C02938
-
-
3 Indolepropionic Acid
3-Indolepropionic acid
ME549327
-
NA
-
-
Sulfurol
5-(2-Hydroxyethyl)-4-methylthiazole
ME549352
-
cpd:C04294
-
-
Betaine
Betaine
ME549333
-
cpd:C00719
-
-
Caffeine
Caffeine
ME549336
-
cpd:C07481
-
-
Acetyl-L-carnitine
CAR 2:0
ME549330
-
cpd:C02571
-
-
Propionyl-L-carnitine
CAR 3:0
ME549350
-
cpd:C03017
-
-
Isobutyryl-L-carnitine
CAR 3:0;2Me
ME549346
-
NA
-
-
Butyryl-L-carnitine
CAR 4:0
ME549334
-
NA
-
-
Choline
Choline
ME549338
-
cpd:C00114
-
-
Desthiobiotin
Dethiobiotin
ME549340
-
cpd:C01909
-
-
Dimethyl glycine
Dimethylglycine
ME549341
-
cpd:C01026
-
-
Domoic Acid
Domoic acid
ME549361
-
cpd:C13732
-
-
Vitamin B9
Folic acid
ME549364
-
cpd:C00504
-
-
Glutathione
Glutathione
ME549342
-
cpd:C00051
-
-
Indole 3 Lactic Acid
Indole-3-lactic acid
ME549344
-
cpd:C02043
-
-
Indole 3 methyl acetate
Indole-3-methyl acetate
ME549345
-
cpd:C20635
-
-
Kynurenine
Kynurenine
ME549347
-
cpd:C00328
-
-
Methylthioadenosine
Methylthioadenosine
ME549348
-
cpd:C00170
-
-
Vitamin B3
Nicotinic acid
ME549363
-
cpd:C00253
-
-
Glutathione Disulfide
Oxidized glutathione
ME549343
-
cpd:C00127
-
-
Vitamin B5
Pantothenic acid
ME549358
-
cpd:C00864
-
-
Phenylalanine
Phenylalanine
ME549349
-
cpd:C00079
-
-
Pyridoxal Phosphate
Pyridoxal 5'-phosphate
ME549351
-
cpd:C00018
-
-
Pyridoxamine
Pyridoxamine
ME549362
-
cpd:C00534
-
-
Vitamin B6
Pyridoxine
ME549359
-
cpd:C00314
-
-
Adenosyl Homocysteine
S-Adenosylhomocysteine
ME549331
-
cpd:C00021
-
-
Decarboxylated S-Adenosylmethionine
S-Adenosylmethioninamine
ME549339
-
NA
-
-
Adenosyl Methionine
S-Adenosylmethionine
ME549332
-
cpd:C00019
-
-
Syringaldehyde
SYRINGALDEHYDE
ME549353
-
NA
-
-
Thiamine monophosphate
Thiamine monophosphate
ME549354
-
cpd:C01081
-
-
Tryptophan
Tryptophan
ME549355
-
cpd:C00078
-
-
Tyrosine
Tyrosine
ME549356
-
cpd:C00082
-
-
Vanillin
Vanillin
ME549357
-
cpd:C00755
-
-
Xanthine
Xanthine
ME549360
-
cpd:C00385
-
-
3OC10-HSL
-
ME549329
-
NA
-
-
C4-HSL
-
ME549335
-
cpd:C11837
-
-
Camalexin
-
ME549337
-
NA
-
-
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