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Return to study ST001856 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
12-Keto-tetrahydro-leukotriene B4
12-Keto-tetrahydro-LTB4
ME427416
5280492
C02165
824.917
336.3242663
1-Aminocyclopropanecarboxylic acid
1-Aminocyclopropanecarboxylic acid
ME427417
535
C01234
86.9667
102.0556603
1-Methylhistamine
1-Methylhistamine
ME427418
3614
C05127
73.5933
126.1026108
1-Methylhistidine
1-Methylhistidine
ME427419
64969
C01152
81.35575
170.0921134
1-Pyrroline-2-carboxylic acid
1-Pyrroline-2-carboxylic acid
ME427420
440046
C03564
91.6641
114.0550968
1-Pyrroline-4-hydroxy-2-carboxylate
1-Pyrroline-4-hydroxy-2-carboxylate
ME427421
440282
C04282
303.467
130.0500177
2-Aminophenol
2-Aminophenol
ME427422
5801
C01987
34.12605
110.0600691
2-Dehydropantoate
2-Dehydropantoic acid
ME427423
38
C00966
389.76
146.0597969
2-Ketobutyric acid
3-Methyl pyruvic acid
ME427424
58
C00109
288.692
102.0550391
2-Naphthol
2-Naphthol
ME427425
8663
C11713
688.4185
144.0652791
2-Phenylacetamide
2-Phenylacetamide
ME427426
7680
C02505
178.053
136.07576
3-Dehydrosphinganine
3-Ketosphinganine
ME427427
439853
C02934
788.483
300.2884167
3-Sulfinylpyruvic acid
-
ME427428
110
C05527
45.89235
152.9948242
4,5-Dihydroorotic acid
4,5-Dihydroorotic acid
ME427429
439216
C00337
179.031
158.9612035
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME427430
1136
C04294
316.43
144.0476666
5,6-Dihydro-5-fluorouracil
-
ME427431
121997
C16630
144.3385
133.0316659
5-Hydroxylysine
5-Hydroxylysine
ME427432
3032849
C16741
74.5495
163.1073942
5-Methylthioadenosine
5'-Methylthioadenosine
ME427433
439176
C00170
377.527
298.0953333
5-phosphonooxy-L-lysine
-
ME427434
25163995
C03366
81.9686
243.0730941
6-Amino-6-deoxyfutalosine
-
ME427435
56927843
C20773
325.1615
413.1221835
Acetylcholine
Acetylcholine
ME427436
187
C01996
93.6146
146.1172995
Acetylphosphate
Acetylphosphate
ME427437
186
C00227
179.778
139.9820748
Allocholic acid
Allocholic acid
ME427438
221493
C00695
838.9995
408.3662657
alpha-Tocopherol
alpha-Tocopherol
ME427439
14985
C02477
524.126
430.2406698
Aminoadipic acid
Aminoadipic acid
ME427440
92136
C00956
95.4502
162.0760486
AMP
AMP
ME427441
6083
C00020
282.6095
348.0684207
Antibiotic JI-20A
-
ME427442
512870
C17704
739.222
482.3264073
Argininosuccinic acid
Argininosuccinic acid
ME427443
16950
C03406
86.2388
291.1282108
Aspartame
Aspartame
ME427444
134601
C11045
416.2835
295.1272032
Betaine
Betaine
ME427445
247
C00719
88.6907
118.0849853
Betaine aldehyde
Betaine aldehyde
ME427446
249
C00576
95.3988
102.091914
Carnosine
Carnosine
ME427447
439224
C00386
81.3668
227.113488
Choline
Choline
ME427448
305
C00114
137.0045
104.1061042
cis-4-Hydroxy-D-proline
cis-4-Hydroxy-D-proline
ME427449
440014
C03440
86.3942
132.0653589
Citicoline
CDP-choline
ME427450
13804
C00307
89.1003
489.1114547
CMP
CMP
ME427451
6131
C00055
96.4734
324.0572137
Corticosterone
Corticosterone
ME427452
5753
C02140
706.2485
347.2194149
Cortisol
Cortisol
ME427453
5754
C00735
659.774
363.2140037
Creatine
Creatine
ME427454
586
C00300
93.1181
132.0756528
Creatinine
Creatinine
ME427455
588
C00791
89.3776
114.0658419
Cyclic GMP
3',5' cyclic GMP
ME427456
135398570
C00942
794.075
346.3302183
Cytosine
Cytosine
ME427457
597
C00380
97.44095
112.0506693
D-4-Phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME427458
41635
C03492
313.372
299.0811173
Dehypoxanthine futalosine
Dehypoxanthine futalosine
ME427459
25137931
C17010
86.1212
296.0642731
Deoxycholic acid
Deoxycholic acid
ME427460
222528
C04483
790.3655
393.2827764
Deoxycytidine
Deoxycytidine
ME427461
13711
C00881
749.419
227.1637163
Deoxyuridine
Deoxyuridine
ME427462
13712
C00526
774.422
228.1954449
D-Fructose
Fructose
ME427463
439163
C00095
690.1885
181.0142837
D-Glucose 1-phosphate
Glucose 1-phosphate
ME427464
65533
C00103
89.40155
261.0361322
Dodecanoic acid
Lauric acid
ME427465
3893
C02679
34.1886
199.9874057
D-Ribose
Ribose
ME427466
5779
C00121
127.678
151.0352467
Ergocalciferol
Vitamin D2
ME427467
5280793
C05441
797.1855
397.1990957
Ergothioneine
Ergothioneine
ME427468
3037043
C05570
97.38925
230.0943406
Erucic acid
cis-Erucic acid
ME427469
5281116
C08316
770.879
338.3410702
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME427470
119
C00334
105.6955
104.1061114
gamma-Glutamylcysteine
gamma-Glutamylcysteine
ME427471
123938
C00669
434.9015
251.0685052
gamma-L-Glutamyl-L-2-aminobutyrate
-
ME427472
7014903
C21015
511.196
233.0910782
Gentamicin C1a
-
ME427473
72396
C00908
450.506
432.278672
Gentisic acid
Gentisic acid
ME427474
3469
C00628
808.7755
154.9896356
GMP
GMP
ME427475
135398631
C00144
141.963
364.0628949
Guanine
Guanine
ME427476
135398634
C00242
295.017
152.0564932
Guanosine
Guanosine
ME427477
135398635
C00387
295.017
284.0980513
Hippuric acid
Hippuric acid
ME427478
464
C01586
456.675
180.0650433
Hydrogen phosphate
Phosphoric acid
ME427479
1004
C00009
153.97
98.98387021
IMP
IMP
ME427480
135398640
C00130
149.858
349.0534732
Indole
Indole
ME427481
798
C00463
573.77
118.0651346
Indoleglycerol phosphate
-
ME427482
444150
C03506
86.8329
288.0734139
Isocitric acid
Isocitric acid
ME427483
1198
C00311
139.238
192.0321603
Kynurenic acid
Kynurenic acid
ME427484
3845
C01717
411.5515
190.0497674
L-2,4-diaminobutyric acid
2,4-Diaminobutyric acid
ME427485
134490
C03283
584.913
118.0660629
L-Arginine
Arginine
ME427486
6322
C00062
81.3894
175.1187227
L-Asparagine
Asparagine
ME427487
6267
C00152
83.103
133.0605947
L-Carnitine
Carnitine
ME427488
10917
C00318
87.27295
162.1120076
L-Cystine
Cystine
ME427489
67678
C00491
81.52915
241.1284285
L-Glutamine
Glutamine
ME427490
5961
C00064
84.7034
147.0762909
L-Histidine
Histidine
ME427491
6274
C00135
81.0159
156.0768164
Linoleic acid
Linoleic acid
ME427492
5280450
C01595
838.187
280.2631022
L-Isoleucine
Isoleucine
ME427493
6306
C00407
347.051
132.1027952
L-Leucine
Leucine
ME427494
6106
C00123
310.143
132.1019689
L-Lysine
Lysine
ME427495
5962
C00047
74.63245
147.112701
L-Methionine
Methionine
ME427496
6137
C00073
118.999
150.0582029
L-Phenylalanine
Phenylalanine
ME427497
71567
C00079
334.8235
166.0837578
L-Proline
Proline
ME427498
145742
C00148
94.67215
116.0695572
L-Rhamnofuranose
-
ME427499
11953811
C02431
70.7517
164.0707085
L-Serine
Serine
ME427500
5951
C00065
83.0688
106.0495101
L-Threonine
Threonine
ME427501
6288
C00188
86.34545
120.0647339
L-Tryptophan
Tryptophan
ME427502
6305
C00078
389.7295
205.0966077
L-Tyrosine
Tyrosine
ME427503
6057
C00082
213.1785
182.0803667
L-Valine
Valine
ME427504
6287
C00183
139.762
118.0854839
Methyl beta-D-galactoside
Methyl beta-D-galactoside
ME427505
94214
C03619
131.435
176.971698
myo-Inositol
Myo-inositol
ME427506
892
C00137
770.6025
181.0140536
N6-Acetyl-L-lysine
N6-Acetyllysine
ME427507
92832
C02727
97.4596
189.1228471
N-Acetyl-alpha-D-glucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME427508
440364
C04501
93.9054
284.0519193
Niacinamide
Niacinamide
ME427509
936
C00153
97.8966
123.0544798
Norepinephrine
Norepinephrine
ME427510
439260
C00547
33.9434
169.9770116
Oleic acid
Oleic acid
ME427511
445639
C00712
769.886
282.2799153
O-Phosphoethanolamine
Phosphoethanolamine
ME427512
1015
C00346
82.847
142.0259898
Ornithine
Ornithine
ME427513
6262
C00077
74.63245
133.0970815
Palmitic acid
Palmitic acid
ME427514
985
C00249
724.5185
256.2624713
Palmitoleic acid
Palmitoleic acid
ME427515
445638
C08362
838.125
255.2310763
Palmitoyl-L-carnitine
CAR 16:0
ME427516
-
C02990
804.0185
400.3401992
p-Aminobenzoic acid
p-Aminobenzoic acid
ME427517
978
C00568
93.21095
138.0546372
Pantothenic acid
Pantothenic acid
ME427518
6613
C00864
351.889
220.1173406
Phenylacetylglycine
Phenylacetylglycine
ME427519
68144
C05598
487.0485
194.0803054
Phosphorylcholine
Choline phosphate
ME427520
1014
C00588
84.557
184.0726495
Phytosphingosine
Phytosphingosine
ME427521
122121
C12144
761.798
318.2984551
Pipecolic acid
Pipecolic acid
ME427522
439227
C00408
86.9845
130.0491734
Prostaglandin F2a
PGF2alpha
ME427523
5280363
C00639
691.6825
337.2352045
Protoporphyrinogen IX
Protoporphyrinogen IX
ME427524
121893
C01079
826.617
568.3345052
Pyridoxamine 5-phosphate
Pyridoxamine 5'-phosphate
ME427525
1053
C00647
83.291
249.0627792
Pyrimidodiazepine
-
ME427526
135398683
C02587
287.5265
221.091613
Pyroglutamic acid
Pyroglutamic acid
ME427527
7405
C01879
205.4365
130.0502227
Pyrrolidonecarboxylic acid
Pyroglutamic acid
ME427528
439685
C02237
609.396
130.0487954
(R)-5,6-Dihydrothymine
-
ME427414
676415
C21028
379.753
128.0699884
Retinoyl b-glucuronide
Retinoyl beta-glucuronide
ME427529
5281877
C11061
798.3975
476.2739684
Riboflavin
Riboflavin
ME427530
493570
C00255
441.034
377.1435091
(S)-2,3,4,5-tetrahydropyridine-2-carboxylate
(S)-1-Piperideine-6-carboxylic acid
ME427415
24771808
C00450
362.383
128.070005
Saccharopine
Saccharopine
ME427531
160556
C00449
94.8208
276.1175619
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME427532
439155
C00021
97.6196
385.1256251
S-Adenosylmethionine
S-Adenosylmethionine
ME427533
34755
C00019
790.351
398.241845
Se-Methylselenocysteine
Se-Methylselenocysteine
ME427534
147004
C05689
302.99
182.983879
Sorbitol
Sorbitol
ME427535
5780
C00794
107.481
182.9861291
Spermidine
Spermidine
ME427536
1102
C00315
838
144.9819087
Sphinganine
Sphinganine
ME427537
91486
C00836
762.4445
302.3034456
Sphingosine
Sphingosine
ME427538
5280335
C00319
773.2745
300.288564
Sucrose
Sucrose
ME427539
5988
C00089
733.5765
343.2956637
Taurine
Taurine
ME427540
1123
C00245
190.029
125.9862491
Thiamine
Thiamine
ME427541
1130
C00378
84.68885
265.1110141
Thiamine aldehyde
-
ME427542
440815
C05856
351.845
264.0809898
Thiamine monophosphate
Thiamine monophosphate
ME427543
1131
C01081
85.386
345.0762476
Thymine
Thymine
ME427544
1135
C00178
345.2995
125.9865306
UMP
UMP
ME427545
6030
C00105
138.581
325.0411857
Uracil
Uracil
ME427546
1174
C00106
204.073
113.033695
Uric acid
Uric acid
ME427547
1175
C00366
98.089
169.0355688
Uridine
Uridine
ME427548
6029
C00299
141.17
245.0761278
Vanillylmandelic acid
Vanillylmandelic acid
ME427549
1245
C05584
683.6175
198.1849171
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
11-Dehydrocorticosterone
11-Dehydrocorticosterone
ME427552
6290
C05490
796.154
325.1847631
12,13-DHOME
12,13-DiHOME
ME427553
10236635
C14829
818.706
295.2274254
13-L-Hydroperoxylinoleic acid
13S-HpODE
ME427554
5280720
C04717
796.06
293.2126872
14,15-DiHETrE
14,15-DiHETrE
ME427555
5283147
C14775
768.5185
337.2389761
15-Deoxy-d-12,14-PGJ2
15-Deoxy-delta-12,14-PGJ2
ME427556
5311211
C14717
808.806
315.1962739
16(R)-HETE
16R-HETE
ME427557
9548884
C14778
834.545
319.2284443
17a-Estradiol
Estradiol-17alpha
ME427558
68570
C02537
813.187
271.2282673
1-Hexadecanol
Cetyl alcohol
ME427559
2682
C00823
751.326
241.0393299
(2R)-2-Hydroxy-3-(phosphonatooxy)propanoate
3-Phosphoglyceric acid
ME427550
439183
C00197
69.7785
166.9745736
3-AMP
3'-AMP
ME427560
41211
C01367
293.7
346.0563167
4-Pyridoxic acid
4-Pyridoxic acid
ME427561
6723
C00847
341.6275
182.0454716
5-Benzoylphosphoadenosine
-
ME427630
441016
C06433
317.406
432.0741058
5-KETE
5-Oxo-ETE
ME427562
5283159
C14732
691.7825
319.2254943
6-Hydroxynicotinate
6-Hydroxynicotinic acid
ME427563
72924
C01020
601.438
138.0198386
6-Keto-prostaglandin F1a
6-Keto-PGF1alpha
ME427564
5280888
C05961
518.0135
369.2288174
6-Phospho-2-dehydro-D-gluconate
-
ME427565
6602434
C01218
69.7704
273.0022317
6-Phosphogluconic acid
6-Phosphogluconic acid
ME427566
91493
C00345
72.1197
275.0208193
Adenine
Adenine
ME427567
190
C00147
291.5
134.0468871
Adenosine
Adenosine
ME427568
60961
C00212
338.165
266.0897639
Adenosine diphosphate ribose
ADP-ribose
ME427569
445794
C00301
98.35165
540.0583792
ADP
ADP
ME427570
6022
C00008
90.88975
426.0218817
all-trans-Retinoic acid
Retinoic acid
ME427571
444795
C00777
812.162
299.2014929
Alpha-D-Glucose 1,6-bisphosphate
Glucose 1,6-bisphosphate
ME427572
82400
C01231
67.5641
338.9874087
Anserine
Anserine
ME427573
112072
C01262
135.627
239.1150083
Arachidic acid
Arachidic acid
ME427574
10467
C06425
777.7065
311.1687585
Arachidonic acid
Arachidonic acid
ME427575
444899
C00219
825.369
303.2330061
Bovinic acid
Rumenic acid
ME427576
5280644
C04056
806.586
279.2345671
Chenodeoxycholic acid
Chenodeoxycholic acid
ME427577
10133
C02528
785.408
391.284756
cis-Aconitate
cis-Aconitic acid
ME427578
643757
C00417
71.80215
173.0088327
Citric acid
Citric acid
ME427579
311
C00158
69.93955
191.019326
Citrulline
Citrulline
ME427580
9750
C00327
87.61415
176.1023692
Cytidine
Cytidine
ME427581
6175
C00475
97.5884
244.0917691
Cytidine monophosphate N-acetylneuraminic acid
Cytidine monophosphate N-acetylneuraminic acid
ME427582
448209
C00128
77.5115
613.146059
D-Arabitol
Arabitol
ME427583
94154
C01904
90.26495
151.0603418
Dehydroepiandrosterone
Dehydroepiandrosterone
ME427584
5881
C01227
833.157
269.2128609
Deoxyguanosine
Deoxyguanosine
ME427585
135398592
C00330
311.9405
266.0897437
Deoxyinosine
Deoxyinosine
ME427586
135398593
C05512
338.728
253.0920809
D-Glucuronic Acid
Glucuronic acid
ME427587
94715
C00191
79.27185
193.034367
dGMP
dGMP
ME427588
135398597
C00362
141.551
346.0547912
Dimethylglycine
Dimethylglycine
ME427589
673
C01026
79.0559
102.0550771
D-Mannose
Mannose
ME427590
18950
C00159
108.221
179.052499
Docosahexaenoic acid
Docosahexaenoic acid
ME427591
445580
C06429
821.46
327.2310254
D-Ribulose 5-phosphate
Ribulose 5-phosphate
ME427592
439184
C00199
75.5779
229.0116361
D-Xylose
Xylose
ME427593
135191
C00181
93.1252
149.0450379
FAD
FAD
ME427594
643975
C00016
355.894
784.151093
FMN
FMN
ME427595
643976
C00061
384.847
455.0960642
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME427596
172313
C00354
813.5205
339.2001735
Fucose 1-phosphate
Fucose 1-phosphate
ME427597
65369
C02985
75.76695
243.0275374
Galactinol
Galactinol
ME427598
11727586
C01235
820.378
323.0972433
Gamma-Linolenic acid
gamma-Linolenic acid
ME427599
5280933
C06426
827.4535
277.2173468
Hepoxilin B3
Hepoxilin B3
ME427600
16759353
C14810
798.1375
335.2225227
Hypoxanthine
Hypoxanthine
ME427601
135398638
C00262
165.3455
135.0304884
Inosine
Inosine
ME427602
135398641
C00294
296.1295
267.0744501
Ketoleucine
Ketoleucine
ME427603
70
C00233
334.977
129.0554887
L-Arogenate
Arogenic acid
ME427604
439319
C00826
157.549
226.0720558
L-Malic acid
Malic acid
ME427605
222656
C00149
73.0217
133.0135944
Methyl jasmonate
Methyl jasmonate
ME427606
5281929
C11512
761.254
223.1338325
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME427607
76406
C01073
411.538
130.0510394
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME427608
74839
C03519
381.917
206.0823072
N-Glycolylneuraminic acid
N-Glycolylneuraminic acid
ME427609
440001
C03410
80.6587
324.0926374
Oxalacetic acid
Oxaloacetic acid
ME427610
970
C00036
805.906
112.9834148
Oxoadipic acid
Oxoadipic acid
ME427611
71
C00322
175.5905
158.976195
Phenylethylamine
Phenylethylamine
ME427612
1001
C05332
488.055
121.0288444
Picolinic acid
Picolinic acid
ME427613
1018
C10164
481.388
122.0251628
Prostaglandin D2
PGD2
ME427614
448457
C00696
602.143
351.218117
Prostaglandin J2
PGJ2
ME427615
5280884
C05957
739.244
333.2072473
Pseudouridine
Pseudouridine
ME427616
15047
C02067
98.35165
243.0618561
(R)-3-Hydroxybutyric acid
3R-Hydroxybutyric acid
ME427551
92135
C01089
91.46825
103.0397585
Raffinose
Raffinose
ME427617
439242
C00492
98.0448
503.1672239
Retinol
Retinol
ME427618
445354
C00473
751.326
285.0645812
Shikimic acid
Shikimic acid
ME427619
8742
C00493
31.9057
173.045075
Stearic acid
Stearic acid
ME427620
5281
C01530
758.018
265.1478185
Thioguanine
Thioguanine
ME427621
2723601
C07648
96.4748
166.0175601
Threonate
Threonic acid
ME427622
5460407
C01620
73.4206
135.028758
Thromboxane B2
TXB2
ME427623
5280890
C05963
588.027
369.2286992
Thymidine
Thymidine
ME427624
5789
C00214
555.9245
242.1761371
trans-Cinnamate
trans-Cinnamic acid
ME427625
444539
C00423
561.475
131.0491073
Trehalose
Trehalose
ME427626
7427
C01083
97.8683
341.1091378
Uridine diphosphate glucose
UDP-glucose
ME427627
8629
C00029
78.14025
565.044835
Uridine diphosphate-N-acetylglucosamine
UDP-N-acetylglucosamine
ME427628
445675
C00043
80.0158
606.0818736
Xanthine
Xanthine
ME427629
1188
C00385
163.9675
151.0245964
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