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Return to study ST002206 main page
Analysis: Liquid chromatography time-of-flight mass spectometry POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine
PE 16:0/16:0
ME535459
445468
-
-
692.524
1-Methyladenosine
1-Methyladenosine
ME535460
27476
-
-
282.121
1-Pyrroline 5-carboxylic acid
1-Pyrroline-5-carboxylic acid
ME535461
440162
-
-
114.055
2,6-Diaminopimelic acid
2,6-Diaminopimelic acid
ME535463
439283
-
-
191.103
2-Amino-2-(hydroxymethyl)-1,3-propanediol
2-Amino-2-methylol-propane-1,3-diol
ME535464
6503
-
-
122.081
2-Arachidonoylglycerol-1
-
ME535465
5282280
-
-
379.279
2-Arachidonoylglycerol-2
MG 20:4
ME535466
5282280
-
-
379.289
2-Arachidonoylglycerol-3
MG 20:4
ME535467
5282280
-
-
379.288
2-Deoxyglucose 6-phosphate
2-Deoxy-D-glucose 6-phosphate
ME535468
440992
-
-
243.028
2'-Deoxyguanosine
Deoxyguanosine
ME535462
187790
-
-
268.105
2-Hydroxy-4-methylvaleric acid
Leucinic acid
ME535469
439960
-
-
131.073
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME535470
440864
-
-
103.041
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME535471
43
-
-
147.031
2-Hydroxytetradecanoic acid
2-Hydroxymyristic acid
ME535472
656737
-
-
243.200
2-Oxoadipic acid
Oxoadipic acid
ME535473
71
-
-
159.031
2-Oxoglutaric acid
2-Oxoglutaric acid
ME535474
51
-
-
145.015
2-Oxoisovaleric acid
Ketoisovaleric acid
ME535475
49
-
-
115.042
2-Phosphoglyceric acid
2-Phosphoglyceric acid
ME535476
439278
-
-
184.987
3',5'-ADP
Adenosine 3',5'-diphosphate
ME535477
159296
-
-
426.024
3-Amino-2-piperidone
3-Amino-2-piperidone
ME535478
5200225
-
-
115.087
3-Aminoisobutyric acid
3-Aminoisobutanoic acid
ME535479
64956
-
-
104.071
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME535480
441
-
-
103.041
3-Hydroxypropionic acid
Hydroxypropionic acid
ME535481
68152
-
-
89.026
3-Methyladenine
3-Methyladenine
ME535482
1673
-
-
150.078
3-Phenylpropionic acid
Hydrocinnamic acid
ME535483
107
-
-
149.060
3-Phosphoglyceric acid
3-Phosphoglyceric acid
ME535484
439183
-
-
184.987
3-Ureidopropionic acid
Ureidopropionic acid
ME535485
111
-
-
131.047
4-Guanidinobutyric acid
4-Guanidinobutanoic acid
ME535486
500
-
-
146.094
5-Hydroxylysine
5-Hydroxylysine
ME535487
3032849
-
-
163.109
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME535488
439280
-
-
221.094
5-Oxoproline
Pyroglutamic acid
ME535489
7405
-
-
128.036
6-Phosphogluconic acid
6-Phosphogluconic acid
ME535490
91493
-
-
275.019
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME535491
119055
-
-
240.109
7-Methylguanine
7-Methylguanine
ME535492
11361
-
-
166.073
Abietic acid-1
Abietic acid
ME535493
10569
-
-
303.239
Abietic acid-2
Abietic acid
ME535494
10569
-
-
303.233
Abietic acid-3
Abietic acid
ME535495
10569
-
-
303.231
Acetylcholine
Acetylcholine
ME535497
187
-
-
146.118
Acetyl CoA_divalent
Acetyl-CoA
ME535496
444493
-
-
403.557
Adenine
Adenine
ME535498
190
-
-
136.063
Adenosine
Adenosine
ME535499
60961
-
-
268.106
ADMA
Dimethylarginine
ME535500
123831
-
-
203.151
ADP
ADP
ME535501
6022
-
-
426.025
Agmatine
Agmatine
ME535502
199
-
-
131.129
Ala
Alanine
ME535503
602
-
-
91.058
allo-Threonine
Allothreonine
ME535504
99289
-
-
120.065
Aminoacetone
Aminoacetone
ME535505
215
-
-
74.060
AMP
AMP
ME535506
6083
-
-
346.058
Aniline
Aniline
ME535507
6115
-
-
92.051
Anthranilic acid
2-Aminobenzoic acid
ME535508
227
-
-
138.056
Arachidic acid
Arachidic acid
ME535509
10467
-
-
311.298
Arachidonic acid
Arachidonic acid
ME535510
444899
-
-
303.236
Arg
Arginine
ME535511
6322
-
-
175.120
Ascorbate 2-glucoside
-
ME535512
54693473
-
-
337.079
Ascorbic acid
Vitamin C
ME535513
54670067
-
-
175.026
Asn
Asparagine
ME535514
236
-
-
133.061
Asp
Aspartic acid
ME535515
424
-
-
134.045
ATP
ATP
ME535516
5957
-
-
505.991
Azelaic acid
Azelaic acid
ME535517
2266
-
-
187.099
Behenic acid
Behenic acid
ME535518
8215
-
-
339.330
Benzoic acid
Benzoic acid
ME535519
243
-
-
121.031
Betaine
Betaine
ME535520
247
-
-
118.087
Biotin
Biotin
ME535521
171548
-
-
245.098
Butyrylcarnitine
CAR 4:0
ME535522
439829
-
-
232.155
Cadaverine
Cadaverine
ME535523
273
-
-
103.123
Carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME535524
123800
-
-
205.119
Carnitine
Carnitine
ME535525
85
-
-
162.113
CDP
CDP
ME535526
6132
-
-
402.013
CDP-choline
CDP-choline
ME535527
13804
-
-
487.102
Cholesterol sulfate
Cholesterol sulfate
ME535528
65076
-
-
465.307
Cholic acid
Cholic acid
ME535529
221493
-
-
407.283
Choline
Choline
ME535530
305
-
-
104.108
cis-11,14-Eicosadienoic acid
11Z,14Z-Eicosadienoic acid
ME535531
6439848
-
-
307.267
cis-11-Eicosenoic acid
cis-Gondoic acid
ME535532
5282768
-
-
309.283
cis-4-Hydroxyproline
cis-4-Hydroxyproline
ME535533
440014
-
-
132.066
cis-5,8,11,14,17-Eicosapentaenoic acid
EPA
ME535534
446284
-
-
301.221
cis-8,11,14-Eicosatrienoic acid
Dihomo-gamma-linolenic acid
ME535535
5280581
-
-
305.252
cis-Aconitic acid
cis-Aconitic acid
ME535536
643757
-
-
173.010
Citraconic acid
Citraconic acid
ME535537
643798
-
-
129.020
Citric acid
Citric acid
ME535538
311
-
-
191.021
Citrulline
Citrulline
ME535539
9750
-
-
176.104
CMP
CMP
ME535540
6131
-
-
322.047
CoA_divalent
Coenzyme A
ME535541
87642
-
-
382.553
Coenzyme Q10
Coenzyme Q10
ME535542
5281915
-
-
863.690
Creatine
Creatine
ME535543
586
-
-
132.077
Creatinine
Creatinine
ME535544
588
-
-
114.066
CTP
CTP
ME535545
6176
-
-
481.979
Cys
Cysteine
ME535546
594
-
-
122.028
Cys-Gly
Cys-Gly
ME535547
439498
-
-
179.047
Cystathionine
Cystathionine
ME535548
834
-
-
223.076
Cysteine glutathione disulfide
S-Glutathionyl-cysteine
ME535549
10455148
-
-
427.097
Cysteinesulfinic acid
3-Sulfino-alanine
ME535550
1549098
-
-
152.003
Cystine
Cystine
ME535551
595
-
-
241.032
Cytidine
Cytidine
ME535552
6175
-
-
244.101
Decanoic acid
Capric acid
ME535553
2969
-
-
171.140
Deoxycholic acid
Deoxycholic acid
ME535554
222528
-
-
391.289
Diethanolamine
Diethanolamine
ME535555
8113
-
-
106.087
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME535556
668
-
-
168.992
Diosgenin
Diosgenin
ME535557
99474
-
-
415.328
dTMP
dTMP
ME535558
9700
-
-
321.053
Dyphylline
Dyphylline
ME535559
3182
-
-
255.109
Erucic acid
cis-Erucic acid
ME535560
5281116
-
-
337.315
Estriol
Estriol
ME535561
5756
-
-
306.208
Ethanolamine
Ethanolamine
ME535562
700
-
-
62.061
Ethanolamine phosphate
Phosphoethanolamine
ME535563
1015
-
-
140.013
FAD_divalent
FAD
ME535564
643975
-
-
391.574
FMN
FMN
ME535565
643976
-
-
455.099
Formiminoglutamic acid
Formiminoglutamic acid
ME535566
439233
-
-
173.058
Fructose 1,6-diphosphate
Fructose 1,6-bisphosphate
ME535567
172313
-
-
338.991
Fructose 6-phosphate
Fructose 6-phosphate
ME535568
603
-
-
259.024
Fumaric acid
Fumaric acid
ME535569
444972
-
-
115.005
GABA
gamma-Aminobutyric acid
ME535570
119
-
-
104.071
GDP
GDP
ME535571
8977
-
-
442.020
Gln
Glutamine
ME535572
738
-
-
147.077
Glu
Glutamic acid
ME535573
611
-
-
148.062
Gluconolactone
Gluconolactone
ME535574
7027
-
-
179.055
Glucosamine 6-sulfuric acid
Glucosamine 6-sulfate
ME535575
72361
-
-
260.045
Glucose 1-phosphate
Glucose 1-phosphate
ME535576
65533
-
-
259.024
Glucose 6-phosphate
Glucose 6-phosphate
ME535577
5958
-
-
259.024
Glutaric acid
Glutaric acid
ME535578
743
-
-
131.036
Glutathione (GSH)
Glutathione
ME535579
124886
-
-
308.092
Glutathione (GSSG)_divalent
Oxidized glutathione
ME535580
65359
-
-
307.085
Gly
Glycine
ME535581
750
-
-
76.040
Gly-Asp
Gly-Asp
ME535582
97363
-
-
191.068
Glyceric acid
Glyceric acid
ME535584
439194
-
-
105.020
Glycerol
Glycerol
ME535585
753
-
-
93.055
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME535586
439162
-
-
171.008
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME535587
439285
-
-
258.111
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME535588
12544
-
-
448.309
Glycocholic acid
Glycocholic acid
ME535589
10140
-
-
464.306
Glycodeoxycholic acid
Glycodeoxycholic acid
ME535590
3035026
-
-
448.310
Gly-Gly
Gly-Gly
ME535583
11163
-
-
133.061
GMP
GMP
ME535591
6804
-
-
362.052
GTP
GTP
ME535592
6830
-
-
521.987
Guanine
Guanine
ME535593
764
-
-
152.059
Guanosine
Guanosine
ME535594
6802
-
-
284.100
Harman
Harman
ME535595
5281404
-
-
183.093
Heptanoic acid
Heptylic acid
ME535596
8094
-
-
129.092
Hexanoic acid
Caproic acid
ME535597
8892
-
-
115.077
His
Histidine
ME535598
773
-
-
156.078
His-Glu
His-Glu
ME535599
7010583
-
-
285.120
Homocitrulline
Homocitrulline
ME535600
65072
-
-
190.120
Homocysteine
Homocysteine
ME535601
778
-
-
136.044
Homocysteinesulfinic acid
Homocysteinesulfinic acid
ME535602
161712
-
-
166.019
Homoserine
Homoserine
ME535603
12647
-
-
120.065
Homovanillic acid
Homovanillic acid
ME535604
1738
-
-
181.052
Hydroxyproline
Hydroxyproline
ME535605
5810
-
-
132.066
Hypotaurine
Hypotaurine
ME535606
107812
-
-
110.028
Hypoxanthine
Hypoxanthine
ME535607
790
-
-
137.046
Ile
Isoleucine
ME535608
791
-
-
132.103
IMP
IMP
ME535609
8582
-
-
347.042
Inosine
Inosine
ME535610
6021
-
-
269.089
Isobutyrylcarnitine
CAR 3:0;2Me
ME535611
168379
-
-
232.155
Isovalerylcarnitine
CAR 4:0;3Me
ME535612
6426851
-
-
246.170
Kynurenine
Kynurenine
ME535613
846
-
-
209.094
Lactic acid
Lactic acid
ME535614
612
-
-
89.025
Lauric acid
Lauric acid
ME535615
3893
-
-
199.172
Leu
Leucine
ME535616
857
-
-
132.103
Linoleic acid
Linoleic acid
ME535617
5280450
-
-
279.236
Linolenic acid
Octadecatrienoic acid
ME535618
5280934
-
-
277.220
Linoleyl ethanolamide
Linoleoyl-EA
ME535619
5283446
-
-
324.292
Lys
Lysine
ME535620
866
-
-
147.114
Malic acid
Malic acid
ME535621
525
-
-
133.015
Met
Methionine
ME535622
876
-
-
150.059
Methionine sulfoxide
Methionine sulfoxide
ME535623
158980
-
-
166.053
Morpholine
-
ME535624
8083
-
-
88.076
myo-Inositol 2-phosphate
myo-Inositol 2-phosphate
ME535625
160886
-
-
259.023
Myristic acid
Myristic acid
ME535626
11005
-
-
227.204
N1-Acetylspermidine
N1-Acetylspermidine
ME535639
496
-
-
188.177
N5-Ethylglutamine
N(5)-Ethyl-glutamine
ME535640
439378
-
-
175.109
N6-Acetyllysine
N6-Acetyllysine
ME535641
92832
-
-
189.125
N6-Methyllysine
N(6)-Methyllysine
ME535642
164795
-
-
161.129
N8-Acetylspermidine
N8-Acetylspermidine
ME535643
123689
-
-
188.177
N-Acetylalanine
N-Acetylalanine
ME535627
88064
-
-
130.052
N-Acetylglucosamine 1-phosphate
N-Acetyl-D-glucosamine 1-phosphate
ME535628
440272
-
-
300.051
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME535629
440996
-
-
300.051
N-Acetylhistidine
N-Acetylhistidine
ME535630
75619
-
-
198.089
N-Acetyllysine
N(2)-Acetyllysine
ME535631
92907
-
-
189.124
N-Acetylmethionine
N-Acetylmethionine
ME535632
448580
-
-
190.056
N-Acetylornithine
N-Acetylornithine
ME535633
439232
-
-
175.109
N-Acetylputrescine
N-Acetylputrescine
ME535634
122356
-
-
131.119
N-Acetylserine
N-Acetylserine
ME535635
65249
-
-
148.061
NAD+
NAD+
ME535644
5893
-
-
662.104
NADP+
NADP+
ME535645
5886
-
-
742.069
NADPH_divalent
NADPH
ME535646
5884
-
-
371.542
N-Carbamoylaspartic acid
N-Carbamoylaspartic acid
ME535636
93072
-
-
175.037
Nicotinamide
Niacinamide
ME535647
936
-
-
123.056
Nicotinic acid
Nicotinic acid
ME535648
938
-
-
124.040
N-Methylalanine
N-Methylalanine
ME535637
5288725
-
-
104.071
N-Methylglutamic acid
N-Methyl-glutamic acid
ME535638
439377
-
-
162.076
NMN
Nicotinamide ribotide
ME535649
14180
-
-
335.065
Nω-Methylarginine
Targinine
ME535650
132862
-
-
189.136
O-Acetylcarnitine
CAR 2:0
ME535651
439756
-
-
204.124
O-Acetylserine
O-Acetylserine
ME535652
99478
-
-
148.061
Octanoic acid
Caprylic acid
ME535654
379
-
-
143.109
Oleic acid
Oleic acid
ME535655
445639
-
-
281.252
O-Phosphoserine
Phosphoserine
ME535653
68841
-
-
184.003
Ophthalmic acid
Ophthalmic acid
ME535656
7018721
-
-
290.136
Ornithine
Ornithine
ME535657
389
-
-
133.098
Palmitic acid
Palmitic acid
ME535659
985
-
-
255.236
Palmitoleic acid
Palmitoleic acid
ME535660
445638
-
-
253.220
Palmitoylcarnitine
CAR 16:0
ME535661
11953816
-
-
400.345
Palmitoylethanolamide
Palmitoyl-EA
ME535662
4671
-
-
300.293
Pantothenic acid
Pantothenic acid
ME535663
6613
-
-
218.105
Penciclovir
Penciclovir
ME535664
4725
-
-
254.125
Pentadecanoic acid
Pentadecylic acid
ME535665
13849
-
-
241.220
Phe
Phenylalanine
ME535666
994
-
-
166.087
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME535667
1005
-
-
166.976
Phosphorylcholine
Choline phosphate
ME535668
1014
-
-
184.074
p-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME535658
135
-
-
137.025
Phytosphingosine
Phytosphingosine
ME535669
122121
-
-
318.302
Picolinic acid
Picolinic acid
ME535670
1018
-
-
124.040
Pipecolic acid
Pipecolic acid
ME535671
439227
-
-
130.087
Pro
Proline
ME535672
614
-
-
116.071
Propionic acid
Propionic acid
ME535673
1032
-
-
73.030
Propionyl CoA_divalent
Propionyl-CoA
ME535674
92753
-
-
410.567
Prostaglandin B2
PGB2
ME535675
5280881
-
-
335.226
PRPP
Phosphoribosyl pyrophosphate
ME535676
7339
-
-
388.946
Putrescine
Putrescine
ME535677
1045
-
-
89.108
Pyridoxal
Pyridoxal
ME535678
1050
-
-
168.067
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME535679
1053
-
-
249.065
Quinic acid
Quinic acid
ME535680
6508
-
-
191.049
Riboflavin
Riboflavin
ME535681
493570
-
-
377.147
Ribose 5-phosphate
Ribose 5-phosphate
ME535682
439167
-
-
229.013
Ribulose 5-phosphate
Ribulose 5-phosphate
ME535683
439184
-
-
229.014
Ricinoleic acid-1
Ricinoleic acid
ME535684
643684
-
-
297.246
Ricinoleic acid-2
Ricinoleic acid
ME535685
643684
-
-
297.246
Saccharopine
Saccharopine
ME535689
160556
-
-
277.141
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME535686
439155
-
-
385.130
S-Adenosylmethionine
S-Adenosylmethionine
ME535687
34755
-
-
399.146
SDMA
Symmetric dimethylarginine
ME535690
169148
-
-
203.151
Sedoheptulose 7-phosphate
Sedoheptulose 7-phosphate
ME535691
165007
-
-
289.035
Ser
Serine
ME535692
617
-
-
106.051
S-Methylglutathione
S-Methylglutathione
ME535688
115260
-
-
322.106
Spermidine
Spermidine
ME535693
1102
-
-
146.166
Sphinganine
Sphinganine
ME535694
91486
-
-
302.309
Stearic acid
Stearic acid
ME535695
5281
-
-
283.267
Stearidonic acid
Stearidonic acid
ME535696
5312508
-
-
275.205
Stearoyl ethanolamide
Stearoyl-EA
ME535697
27902
-
-
328.319
Streptomycin sulfate_+H2O_divalent
Streptomycin
ME535698
19649
-
-
300.646
Succinic acid
Succinic acid
ME535699
1110
-
-
117.020
Sulfotyrosine
Sulfotyrosine
ME535700
514186
-
-
260.026
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME535701
387316
-
-
498.293
Taurocholic acid
Taurocholic acid
ME535702
46783527
-
-
514.288
Taurodeoxycholic acid
Taurodeoxycholic acid
ME535703
92042745
-
-
498.292
Terephthalic acid
Terephthalic acid
ME535704
7489
-
-
165.020
Testosterone
Testosterone
ME535705
6013
-
-
289.208
Testosterone acetate
Testosterone acetate
ME535706
92145
-
-
331.230
Thiamine
Thiamine
ME535707
1130
-
-
265.113
Thiamine phosphate
TMP
ME535708
1131
-
-
345.079
Thiaproline
-
ME535709
9934
-
-
134.028
Thr
Threonine
ME535710
6288
-
-
120.066
Thr-Asp
Thr-Asp
ME535711
3280446
-
-
235.092
Tiglic acid
Tiglic acid
ME535712
125468
-
-
99.046
trans-Glutaconic acid
Glutaconic acid
ME535713
5280498
-
-
131.035
Tricosanoic acid
Tricosylic acid
ME535714
17085
-
-
353.346
Triethanolamine
Triethanolamine
ME535715
7618
-
-
150.113
Trilaurin
TG 12:0/12:0/12:0
ME535716
10851
-
-
656.588
Trimethylamine N-oxide
Trimethylamine N-oxide
ME535717
1145
-
-
76.076
Trp
Tryptophan
ME535718
1148
-
-
205.098
Tyr
Tyrosine
ME535719
1153
-
-
182.082
Tyramine
Tyramine
ME535721
5610
-
-
138.092
Tyr-Arg_divalent
Tyr-Arg
ME535720
123804
-
-
169.596
UDP
UDP
ME535722
6031
-
-
402.997
UDP-glucuronic acid
UDP-glucuronic acid
ME535723
17473
-
-
579.030
UMP
UMP
ME535724
6030
-
-
323.031
Uracil
Uracil
ME535725
1174
-
-
113.035
Urea
Urea
ME535726
1176
-
-
61.040
Uric acid
Uric acid
ME535727
1175
-
-
167.023
Uridine
Uridine
ME535728
6029
-
-
245.081
Urocanic acid
Urocanic acid
ME535729
736715
-
-
139.052
UTP
UTP
ME535730
6133
-
-
482.964
Val
Valine
ME535731
1182
-
-
118.087
Xanthine
Xanthine
ME535732
1188
-
-
153.041
β-Ala
beta-Alanine
ME535733
239
-
-
90.056
β-Ala-Lys
-
ME535734
440638
-
-
218.151
β-Hydroxyisovaleric acid
3-Hydroxyisovaleric acid
ME535735
69362
-
-
117.056
γ-Butyrobetaine
3-Dehydroxycarnitine
ME535736
134
-
-
146.118
γ-Glu-Cys
gamma-Glutamylcysteine
ME535737
123938
-
-
251.070
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