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Return to study ST000240 main page
Analysis: HESI positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-SERINE
Serine
ME699441
5951
C00065
0.79
104.0349
2-AMINO-2-METHYLPROPANOATE
Aminoisobutyric acid
ME699483
6119
C03665
0.86
104.0714
CYTOSINE
Cytosine
ME699458
597
C00380
0.81
112.051
HISTAMINE
Histamine
ME699472
774
C00388
0.75
112.0874
Proline
Proline
ME699434
145742
C00148
0.92
116.0712
L-THREONINE
Threonine
ME699440
6288
C00188
0.8
118.051
BETAINE
Betaine
ME699466
247
C00719
0.86
118.0867
NICOTINAMIDE
Niacinamide
ME699438
936
C00153
1.75
123.0558
NICOTINATE
Nicotinic acid
ME699437
938
C00253
1.57
124.0397
5-METHYLCYTOSINE HYDROCLORIDE
5-Methylcytosine
ME699462
65040
C02376
1.14
126.0666
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME699481
96215
C02835
1.11
127.0504
5-OXO-L-PROLINE
Pyroglutamic acid
ME699453
7405
C01879
1.9
128.0354
LEUCINE
Leucine
ME699445
6106
C00123
2.6
130.0874
AGMATINE SULFATE
Agmatine
ME699465
199
C00179
0.78
131.1294
L-ASPARTATE
Aspartic acid
ME699446
5960
C00049
0.79
132.0303
4-HYDROXY-L-PROLINE
cis-4-Hydroxyproline
ME699480
440015
C01015
0.8
132.0657
L-ASPARAGINE
Asparagine
ME699447
6267
C00152
0.79
133.061
L-ORNITHINE
Ornithine
ME699442
6262
C00077
0.68
133.0976
HYPOXANTHINE
Hypoxanthine
ME699448
790
C00262
2.05
135.0308
Creatine-D3
Creatine
ME699450
-
-
0.95
135.0955
4-HYDROXYBENZOATE
4-Hydroxybenzoic acid
ME699463
135
C00156
7.37
137.0243
PHENYLETHANOLAMINE
2-Hydroxyphenethylamine
ME699474
1000
C02735
5.2
138.0915
L-LYSINE
Lysine
ME699443
5962
C00047
0.68
145.0982
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME699455
22880
C12269
0.84
146.0458
Glutamine
Glutamine
ME699449
5961
C00064
0.79
147.0767
3-HYDROXYANTHRANILATE
3-Hydroxyanthranilic acid
ME699482
86
C00632
6.3
154.05
L-HISTIDINE
Histidine
ME699444
6274
C00135
0.78
156.0769
(R)-MALATE
D-Malic acid
ME699454
92824
C00497
1.13
157.0112
ALLANTOIN
Allantoin
ME699461
204
C01551
0.8
159.0515
4-COUMARATE
cis-p-Coumaric acid
ME699464
637542
C06738
8.28
163.0398
Phenylalanine
Phenylalanine
ME699436
6140
C00079
5.57
166.0865
URATE
Uric acid
ME699429
1175
C00366
1.86
167.0205
CITRAMALATE
Citramalic acid
ME699460
1081
C00815
2.23
171.0265
CITRULLINE
Citrulline
ME699451
9750
C00327
0.84
174.0883
arginine
Arginine
ME699428
6322
C00062
-
175.119
D-MANNOSAMINE
2-Amino-2-deoxy-D-mannose
ME699468
440049
-
0.81
180.0867
CAFFEATE
Caffeic acid
ME699467
1549111
C01481
7.73
181.0497
PHOSPHOCHOLINE
Choline phosphate
ME699435
135437
-
0.8
184.0735
Tryptophan-NH3
Tryptophan
ME699430
6305
C00078
6.45
188.0708
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID
Kynurenic acid
ME699479
3845
-
7.07
190.0499
QUINATE
Quinic acid
ME699475
6508
C00296
0.85
193.0708
FERULATE
trans-Ferulic acid
ME699469
445858
C01494
8.43
195.0652
Caffeine-D3
Caffeine
ME699452
13001298
-
6.74
198.1067
MANNOSE
Mannose
ME699439
18950
C00159
0.77
203.0526
Tryptophan
Tryptophan
ME699432
6305
C00078
6.45
203.0825
GALACTITOL
Galactitol
ME699470
11850
C01697
0.79
205.0684
Tryptophan-2,3,3-D3
Tryptophan
ME699431
-
-
6.44
208.1161
CITRATE
Citric acid
ME699459
311
C00158
1.92
215.0164
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME699456
94214
C03619
1
217.0685
D-PANTOTHENIC ACID
Pantothenic acid
ME699457
988
C00864
5.94
220.1185
GUANOSINE
Guanosine
ME699471
6802
C00387
6.01
284.0989
5'-METHYLTHIOADENOSINE
5'-Methylthioadenosine
ME699478
439176
C00170
6.75
298.097
SUCROSE
Sucrose
ME699477
5988
C00089
0.92
365.1055
RIBOFLAVIN
Riboflavin
ME699476
493570
C00255
7.3
377.1457
PUTRESCINE
Putrescine
ME699433
1045
C00134
0.67
89.108
L-ALANINE
Alanine
ME699473
5950
C00041
0.78
90.0557
Analysis: HESI negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-SERINE
Serine
ME699488
5951
C00065
0.79
104.0349
GLYCERATE
Glyceric acid
ME699497
439194
C00258
0.91
105.0191
Proline
Proline
ME699485
145742
C00148
0.92
116.0712
L-THREONINE
Threonine
ME699487
6288
C00188
0.8
118.051
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME699505
126
C00633
8.03
121.0294
NICOTINATE
Nicotinic acid
ME699486
938
C00253
1.57
124.0397
5-OXO-L-PROLINE
Pyroglutamic acid
ME699493
7405
C01879
1.9
128.0354
L-ASPARTATE
Aspartic acid
ME699490
5960
C00049
0.79
132.0303
L-ASPARAGINE
Asparagine
ME699491
6267
C00152
0.79
133.061
4-HYDROXYBENZOATE
4-Hydroxybenzoic acid
ME699504
135
C00156
7.37
137.0243
SALICYLATE
Salicylic acid
ME699515
338
C00805
9.4
137.0243
L-GLUTAMINE
Glutamine
ME699498
5961
C00064
0.79
145.0616
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME699499
22880
C12269
0.84
146.0458
XYLITOL
Xylitol
ME699512
6912
C00379
0.81
151.061
3-HYDROXYANTHRANILATE
3-Hydroxyanthranilic acid
ME699511
86
C00632
6.3
154.05
OROTATE
Orotic acid
ME699516
967
C00295
1.32
155.0097
L-HISTIDINE
Histidine
ME699489
6274
C00135
0.78
156.0769
ALLANTOIN
Allantoin
ME699502
204
C01551
0.8
159.0515
4-COUMARATE
cis-p-Coumaric acid
ME699506
637542
C06738
8.28
163.0398
URATE
Uric acid
ME699484
1175
C00366
1.86
167.0205
DECANOATE
Capric acid
ME699519
2969
C01571
11.94
171.139
TRANS-ACONITATE
trans-Aconitic acid
ME699513
444212
C02341
3.51
173.009
SUBERIC ACID
Suberic acid
ME699500
10457
C08278
7.89
173.0818
MYO-INOSITOL
Myo-inositol
ME699517
892
C00137
0.8
179.056
CAFFEATE
Caffeic acid
ME699507
1549111
C01481
7.73
181.0497
D-SORBITOL
Sorbitol
ME699495
453
C00794
0.78
181.0717
AZELAIC ACID
Azelaic acid
ME699522
2266
C08261
8.59
187.0974
D-GLUCURONIC ACID
Glucuronic acid
ME699518
94715
C00191
0.88
193.0349
QUINATE
Quinic acid
ME699510
6508
C00296
0.85
193.0708
GLUCONIC ACID
Gluconic acid
ME699496
10690
C00257
0.83
195.0508
FERULATE
trans-Ferulic acid
ME699508
445858
C01494
8.43
195.0652
D-SACCHARIC ACID
Glucaric acid
ME699494
33037
C00818
0.82
209.0301
CITRATE
Citric acid
ME699501
311
C00158
1.92
215.0164
THYMIDINE
Thymidine
ME699514
5789
C00214
6.23
241.0828
GUANOSINE
Guanosine
ME699509
6802
C00387
6.01
284.0989
CHOLATE
Cholic acid
ME699521
221493
C00695
10.41
407.2796
D-(+)-RAFFINOSE
Raffinose
ME699520
439242
C00492
1.03
503.1604
GLYCOLATE
Glycolic acid
ME699503
757
C00160
0.94
75.008
BETA-ALANINE
beta-Alanine
ME699492
239
C00099
0.79
88.0399
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