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Return to study ST002649 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
cyclohexylamine
Cyclohexylamine
ME627309
-
-
6.45
100.1121
2-aminoisobutyrate
Aminoisobutyric acid
ME627245
-
-
7.63
104.0707
dimethylglycine
Dimethylglycine
ME627311
-
-
8.5
104.0707
GABA
gamma-Aminobutyric acid
ME627313
-
-
7.52
104.0707
choline
Choline
ME627305
-
-
8.31
104.1071
serine
Serine
ME627377
-
-
7.61
106.0501
hypotaurine
Hypotaurine
ME627326
-
-
7.94
110.0272
histamine
Histamine
ME627322
-
-
9.2
112.0871
creatinine
Creatinine
ME627308
-
-
6.47
114.0664
proline
Proline
ME627370
-
-
8.09
116.0709
guanidinoacetate
Guanidoacetic acid
ME627319
-
-
7.82
118.0613
betaine
Betaine
ME627270
-
-
8.96
118.0864
valine
Valine
ME627389
-
-
7.39
118.0865
threonine
Threonine
ME627382
-
-
7.53
120.0658
niacinamide
Niacinamide
ME627358
-
-
3.78
123.0555
taurine
Taurine
ME627380
-
-
6.02
126.0221
5-methylcytosine
5-Methylcytosine
ME627253
-
-
6.12
126.0663
1-methylhistamine
1-Methylhistamine
ME627241
-
-
9.8
126.1027
valine-d8
Valine
ME627239
-
-
7.41
126.1366
imidazoleacetate
Imidazoleacetic acid
ME627328
-
-
8.04
127.0503
N-methylproline
N-Methyl-proline
ME627360
-
-
8.6
130.0862
pipecolate
Pipecolic acid
ME627368
-
-
7.97
130.0862
hydroxyproline
Hydroxyproline
ME627325
-
-
7.84
132.0655
N-acetylalanine
N-Acetylalanine
ME627347
-
-
3.55
132.0655
creatine
Creatine
ME627307
-
-
8.27
132.0766
beta-guanidinopropionate
3-Guanidinopropanoic acid
ME627269
-
-
7.46
132.0767
isoleucine
Isoleucine
ME627330
-
-
7.08
132.1018
leucine
Leucine
ME627331
-
-
6.95
132.1018
asparagine
Asparagine
ME627266
-
-
7.85
133.0607
N-carbamoyl-beta-alanine
Ureidopropionic acid
ME627357
-
-
4.08
133.0607
ornithine
Ornithine
ME627362
-
-
9.29
133.0971
aspartate
Aspartic acid
ME627267
-
-
7.86
134.0446
1-methylnicotinamide
1-Methyl nicotinamide
ME627242
-
-
8.23
137.0706
trigonelline
Trigonelline
ME627383
-
-
8.86
138.0547
urocanate
Urocanic acid
ME627388
-
-
4.57
139.0499
imidazole propionate
Imidazole propanoate
ME627327
-
-
7.43
141.0655
methylimidazoleacetate
Methylimidazoleacetic acid
ME627338
-
-
8.86
141.0656
ectoine
Ectoine
ME627312
-
-
8.89
143.0811
proline-betaine
Proline betaine
ME627371
-
-
9.24
144.1015
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME627249
-
-
3.38
146.0807
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME627250
-
-
7.22
146.0919
2-aminoheptanoate
2-Aminoheptanoic acid
ME627244
-
-
6.13
146.1171
acetylcholine
Acetylcholine
ME627255
-
-
7.8
146.1171
butyrobetaine
3-Dehydroxycarnitine
ME627273
-
-
8.75
146.1171
glutamine
Glutamine
ME627315
-
-
7.97
147.0759
lysine
Lysine
ME627333
-
-
9.32
147.1123
glutamate
Glutamic acid
ME627314
-
-
7.55
148.0599
methionine
Methionine
ME627334
-
-
7.01
150.0578
S-methyl-L-cysteine-S-oxide
S-Methylcysteine S-oxide
ME627379
-
-
8.55
152.038
xanthine
Xanthine
ME627390
-
-
3.67
153.0401
N1-methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME627341
-
-
4.32
153.0653
N-acetylhistamine
N-Acetylhistamine
ME627349
-
-
7.75
154.0968
histidine
Histidine
ME627323
-
-
9.29
156.0761
allantoin
Allantoin
ME627261
-
-
3.6
159.0506
ala-ala
Ala-Ala
ME627259
-
-
8.05
161.0914
N6-methyllysine
N(6)-Methyllysine
ME627346
-
-
9.69
161.1278
carnitine
Carnitine
ME627274
-
-
8.78
162.1117
methionine sulfoxide
Methionine sulfoxide
ME627335
-
-
8.59
166.0526
7-methylguanine
7-Methylguanine
ME627254
-
-
5.76
166.0715
methyl N-methylanthranilate
Methyl N-methylanthranilate
ME627336
-
-
2
166.0854
phenylalanine
Phenylalanine
ME627366
-
-
6.69
166.0854
urate
Uric acid
ME627387
-
-
4.16
169.0348
3-methylhistidine
3-Methylhistidine
ME627248
-
-
9.79
170.0915
pro-gly
Pro-Gly
ME627369
-
-
8.44
173.0911
N-acetylleucine
N-Acetylleucine
ME627351
-
-
2.72
174.1114
phenylalanine-d8
Phenylalanine
ME627238
-
-
6.7
174.1355
N-acetylornithine
N-Acetylornithine
ME627353
-
-
8.37
175.1067
arginine
Arginine
ME627265
-
-
9.1
175.118
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME627344
-
-
10.22
175.1432
N-acetylaspartate
N-Acetylaspartic acid
ME627348
-
-
4.29
176.0545
citrulline
Citrulline
ME627306
-
-
8.31
176.1019
serotonin
Serotonin
ME627378
-
-
6.29
177.1012
5-hydroxytryptophol
5-Hydroxytryptophol
ME627251
-
-
1.86
178.0853
hippurate
Hippuric acid
ME627321
-
-
2.58
180.0645
tyrosine
Tyrosine
ME627386
-
-
6.77
182.08
phosphocholine
Choline phosphate
ME627367
-
-
10.79
184.0723
acisoga
Acisoga
ME627256
-
-
5.68
185.1272
N1-acetylspermidine
N1-Acetylspermidine
ME627340
-
-
9.82
188.1746
N6-acetyllysine
N6-Acetyllysine
ME627345
-
-
8.35
189.1221
homoarginine
Homoarginine
ME627324
-
-
9.15
189.1334
NMMA
Targinine
ME627361
-
-
9.37
189.1334
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME627343
-
-
11.2
189.1586
N-acetylmethionine
N-Acetylmethionine
ME627352
-
-
3.39
192.0678
phenylacetylglycine
Phenylacetylglycine
ME627365
-
-
2.69
194.0799
N-acetylhistidine
N-Acetylhistidine
ME627350
-
-
8.33
198.0836
ADMA
Dimethylarginine
ME627258
-
-
9.73
203.1491
SDMA
Symmetric dimethylarginine
ME627376
-
-
9.62
203.1491
C2 carnitine
CAR 2:0
ME627275
-
-
8.66
204.1218
tryptophan
Tryptophan
ME627385
-
-
6.47
205.0959
pantothenol
Pantothenol
ME627364
-
-
3.79
206.1375
N-acetylphenylalanine
N-Acetylphenylalanine
ME627354
-
-
3.02
208.0959
N-alpha-acetylarginine
Pelargonidin
ME627356
-
-
8.14
217.1284
C3 carnitine
CAR 3:0
ME627276
-
-
8.33
218.1376
N-acetylserotonin
N-Acetylserotonin
ME627355
-
-
2.7
219.1117
pantothenate
Pantothenic acid
ME627363
-
-
2.97
220.1168
carnosine
Carnosine
ME627303
-
-
9.71
227.1128
2'-deoxycytidine
Deoxycytidine
ME627247
-
-
5.97
228.0966
C4 carnitine
CAR 4:0
ME627279
-
-
8
232.1534
anserine
Anserine
ME627263
-
-
10.43
241.1286
cytidine
Cytidine
ME627310
-
-
5.84
244.0921
C5:1 carnitine
CAR 5:1
ME627282
-
-
7.87
244.1536
C5 carnitine
CAR 5:0
ME627281
-
-
7.79
246.1692
C3-DC carnitine
CAR DC3:0
ME627277
-
-
9.38
248.112
C4-OH carnitine
CAR 4:0;OH
ME627280
-
-
8.85
248.1485
2'-deoxyadenosine
Deoxyadenosine
ME627246
-
-
5.21
252.1083
5-methylcytidine
5-Methylcytidine
ME627252
-
-
5.98
258.1079
alpha-glycerophosphocholine
sn-Glycero-3-phosphocholine
ME627262
-
-
10.37
258.1096
N-lauroylglycine
NAGly 12:0
ME627359
-
-
2.41
258.2058
ribothymidine
Ribothymidine
ME627373
-
-
2.43
259.093
C6 carnitine
CAR 6:0
ME627284
-
-
7.53
260.1851
C3-DC-CH3 carnitine
CAR 3:0;2Me
ME627278
-
-
8.52
262.128
thiamine
Thiamine
ME627381
-
-
9.77
265.1112
adenosine
Adenosine
ME627257
-
-
4.97
268.1035
inosine
Inosine
ME627329
-
-
4.79
269.0875
C7 carnitine
CAR 7:0
ME627285
-
-
7.41
274.2007
C5-DC carnitine
CAR DC5:0
ME627283
-
-
8.33
276.1434
1-methyladenosine
1-Methyladenosine
ME627240
-
-
7.67
282.119
guanosine
Guanosine
ME627320
-
-
5.26
284.0983
xanthosine
Xanthosine
ME627391
-
-
4.29
285.0823
N4-acetylcytidine
N4-Acetylcytidine
ME627342
-
-
4.27
286.1027
C8 carnitine
CAR 8:0
ME627286
-
-
7.32
288.2163
methylthioadenosine
Methylthioadenosine
ME627339
-
-
4.25
298.096
sphingosine
Sphingosine
ME627448
-
-
5.78
300.2888
C9 carnitine
CAR 9:0
ME627287
-
-
7.22
302.2317
sphinganine
Sphinganine
ME627450
-
-
5.8
302.3044
glutathione reduced
Glutathione
ME627316
-
-
7.79
308.0903
C10 carnitine
CAR 10:0
ME627288
-
-
7.12
316.2472
phytosphingosine
Phytosphingosine
ME627449
-
-
5.89
318.2993
linoleoyl ethanolamide
Linoleoyl-EA
ME627332
-
-
2.01
324.2888
C12:1 carnitine
CAR 12:1
ME627290
-
-
6.99
342.2628
cellobiose
Cellobiose
ME627304
-
-
5.9
343.1223
C12 carnitine
CAR 12:0
ME627289
-
-
6.94
344.2784
21-deoxycortisol
21-Deoxycortisol
ME627243
-
-
2.02
347.2207
arachidoyl ethanolamide
Eicosanoyl-EA
ME627264
-
-
2
356.3511
C14:2 carnitine
CAR 14:2
ME627293
-
-
6.85
368.2784
C14:1 carnitine
CAR 14:1
ME627292
-
-
6.79
370.294
C14 carnitine
CAR 14:0
ME627291
-
-
6.79
372.3096
S-adenosylhomocysteine
S-Adenosylhomocysteine
ME627374
-
-
8.08
385.1278
S-adenosylmethionine
S-Adenosylmethionine
ME627375
-
-
10.1
399.1433
C16 carnitine
CAR 16:0
ME627294
-
-
6.67
400.3409
C16-OH carnitine
CAR 16:0;OH
ME627295
-
-
7.1
416.3359
C18:2 carnitine
CAR 18:2
ME627299
-
-
6.63
424.3409
C18:1 carnitine
CAR 18:1
ME627297
-
-
6.59
426.3567
C18 carnitine
CAR 18:0
ME627296
-
-
6.57
428.3725
C18:1-OH carnitine
CAR 18:1;OH
ME627298
-
-
7.01
442.3517
C20:4 carnitine
CAR 20:4
ME627301
-
-
6.53
448.3408
C16:0 LPE
LPE 16:0
ME627408
-
-
6.25
454.2919
C20 carnitine
CAR 20:0
ME627300
-
-
6.45
456.4037
glycocholate
Glycocholic acid
ME627318
-
-
5.23
466.3154
C14:0 LPC
LPC 14:0
ME627392
-
-
7.86
468.3075
C18:3 LPE
LPE 18:3
ME627409
-
-
6.25
476.274
C18:2 LPE
LPE 18:2
ME627410
-
-
6.23
478.2923
C18:1 LPE
LPE 18:1
ME627411
-
-
6.2
480.3079
C18:0 LPE A
LPE 18:0
ME627412
-
-
6.17
482.3234
C18:0 LPE B
LPE 18:0
ME627413
-
-
7.78
482.3234
C16:1 LPC
LPC 16:1
ME627393
-
-
7.77
494.3235
C16:0 LPC
LPC 16:0
ME627394
-
-
7.73
496.339
C20:4 LPE
LPE 20:4
ME627414
-
-
6.1
502.2923
C18:1 LPC plasmalogen
LPC P-18:0 or LPC O-18:1
ME627407
-
-
7.76
508.3756
C20:0 LPE
LPE 20:0
ME627415
-
-
7.67
510.3548
C18:3 LPC
LPC 18:3
ME627395
-
-
7.74
518.3212
C18:2 LPC
LPC 18:2
ME627396
-
-
7.71
520.3393
C18:1 LPC
LPC 18:1
ME627397
-
-
7.66
522.3552
C18:0 LPC
LPC 18:0
ME627398
-
-
7.61
524.3707
C22:6 LPE
LPE 22:6
ME627416
-
-
6.08
526.2925
C16:0 Ceramide (d18:1)
Cer 18:1;O2/16:0
ME627451
-
-
1.87
538.5193
C26 carnitine
CAR 26:0
ME627302
-
-
6.24
540.4991
C20:5 LPC
LPC 20:5
ME627399
-
-
7.72
542.3215
C20:4 LPC B
LPC 20:4
ME627401
-
-
7.64
544.3397
C20:4 LPC A
LPC 20:4
ME627400
-
-
7.51
544.3398
C20:3 LPC
LPC 20:3
ME627402
-
-
7.48
546.3511
C22:6 LPC
LPC 22:6
ME627403
-
-
7.49
568.3381
C22:5 LPC
LPC 22:5
ME627404
-
-
7.48
570.3543
C22:4 LPC
LPC 22:4
ME627405
-
-
7.44
572.3686
biliverdin
Biliverdin
ME627272
-
-
1.97
583.2536
bilirubin
Bilirubin
ME627271
-
-
1.7
585.2691
C24:0 LPC
LPC 24:0
ME627406
-
-
7.32
608.4637
C24:1 ceramide (d18:1)
Cer 18:1;O2/24:1
ME627452
-
-
1.82
648.6258
C34:3 PE plasmalogen
PE P-34:2 or PE O-34:3
ME627434
-
-
5.43
700.523
C16:1 SM
SM 18:1;O2/16:1
ME627442
-
-
7.2
701.5547
C34:2 PE plasmalogen
PE P-34:1 or PE O-34:2
ME627435
-
-
5.43
702.5383
C16:0 SM
SM 18:1;O2/16:0
ME627443
-
-
7.19
703.5702
C30:0 PC
PC 30:0
ME627417
-
-
6.69
706.5338
C34:2 PE
PE 34:2
ME627427
-
-
5.47
716.5184
C34:0 PE
PE 34:0
ME627428
-
-
6.68
720.5498
C36:5 PE plasmalogen
PE P-36:4 or PE O-36:5
ME627436
-
-
5.36
724.5234
C36:3 PE plasmalogen
PE P-36:2 or PE O-36:3
ME627424
-
-
5.41
728.555
C18:1 SM
SM 18:1;O2/18:1
ME627444
-
-
7.12
729.5866
C32:2 PC
PC 32:2
ME627418
-
-
6.66
730.5345
C18:0 SM
SM 18:1;O2/18:0
ME627445
-
-
7.12
731.6021
C36:4 PE
PE 36:4
ME627429
-
-
5.41
740.5188
methylguanidine
Methylguanidine
ME627337
-
-
6.81
74.0712
C34:3 PC plasmalogen
PC P-34:2 or PC O-34:3
ME627422
-
-
6.58
742.5707
C36:2 PE
PE 36:2
ME627430
-
-
5.44
744.55
C38:7 PE plasmalogen
PE P-38:6 or PE O-38:7
ME627437
-
-
5.33
748.5214
C38:6 PE plasmalogen
PE P-38:5 or PE O-38:6
ME627438
-
-
5.33
750.5363
C38:5 PE plasmalogen
PE P-38:4 or PE O-38:5
ME627439
-
-
5.32
752.5521
C34:4 PC
PC 34:4
ME627419
-
-
6.59
754.5316
C34:3 PC
PC 34:3
ME627420
-
-
6.68
756.5457
C20:0 SM
SM 18:1;O2/20:0
ME627446
-
-
7.04
759.631
glycine
Glycine
ME627317
-
-
7.86
76.0393
trimethylamine-N-oxide
Trimethylamine N-oxide
ME627384
-
-
8.11
76.0757
C38:6 PE
PE 38:6
ME627431
-
-
5.4
764.5165
C36:5 PC plasmalogen
PC P-36:4 or PC O-36:5
ME627423
-
-
6.48
766.5684
C38:4 PE
PE 38:4
ME627432
-
-
5.38
768.5476
C36:2 PS plasmalogen
PS O-36:2
ME627441
-
-
6.69
774.5588
C40:7 PE plasmalogen
PE P-40:6 or PE O-40:7
ME627440
-
-
5.3
776.5523
C36:2 PC
PC 36:2
ME627421
-
-
6.58
786.5947
C22:0 SM
SM 18:1;O2/22:0
ME627447
-
-
6.99
787.6625
C38:7 PC plasmalogen
PC P-38:6 or PC O-38:7
ME627425
-
-
6.44
790.5693
C40:6 PE
PE 40:6
ME627433
-
-
5.36
792.5479
C38:6 PC plasmalogen
PC P-38:5 or PC O-38:6
ME627426
-
-
6.43
792.584
putrescine
Putrescine
ME627372
-
-
9.38
89.1073
alanine
Alanine
ME627260
-
-
7.76
90.0551
beta-alanine
beta-Alanine
ME627268
-
-
7.97
90.0551
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