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Return to study ST000726 main page
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME204474
970
-
0.574
132.0034
LYSINE (M-H)-
Lysine
ME204466
5962
-
0.591
146.1045
L-HISTIDINE (M-H)-
Histidine
ME204461
6274
-
0.619
155.0689
ISOCITRIC ACID (M-H)-
Isocitric acid
ME204458
5318532
-
0.797
192.027
MALIC ACID (M-H)-
Malic acid
ME204467
222656
-
0.829
134.0212
DEHYDROASCORBIC ACID (M-H)-
Dehydroascorbic acid
ME204444
440667
-
0.878
174.016
VALINE (M-H)-
Valine
ME204494
6287
-
0.908
117.0783
URIC ACID (M-H)-
Uric acid
ME204491
1175
-
1.002
168.0282
HYPOXANTHINE (M-H)-
Hypoxanthine
ME204457
790
-
1.126
136.0371
TRANS-ACONITIC ACID (M-H)-
trans-Aconitic acid
ME204486
444212
-
1.189
174.0161
5-OXOPROLINE (M-H)-
Pyroglutamic acid
ME204437
7405
-
1.227
129.042
XANTHINE (M-H)-
Xanthine
ME204495
1188
-
1.295
152.0328
SUCCINIC ACID (M-H)-
Succinic acid
ME204483
1110
-
1.35
118.0264
TYROSINE (M-H)-
Tyrosine
ME204490
6057
-
1.35
181.0733
URIDINE (M+CL)-
Uridine
ME204492
6029
-
1.365
244.0691
URIDINE (M-H)-
Uridine
ME204493
6029
-
1.387
244.0687
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
S-Adenosylhomocysteine
ME204481
439155
-
1.45
384.1292
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME204471
88064
-
1.54
131.0572
DEHYDROEPIANDROSTERONE SULFATE (M-H)-
Dehydroepiandrosterone sulfate
ME204445
12594
-
15.475
368.1663
ISOLEUCINE (M-H)-
Isoleucine
ME204459
6306
-
1.586
131.094
DEOXYURIDINE (M-H)-
Deoxyuridine
ME204450
13712
-
1.595
228.0771
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-
2-Hydroxyisobutyric acid
ME204439
440873
-
1.756
104.0474
2-HYDROXYBUTYRIC ACID (M-H)-
2-Hydroxybutyric acid
ME204430
11266
-
1.816
104.0474
5-HYDROXYTRYPTOPHAN (M-H)-
5-Hydroxy-tryptophan
ME204436
439280
-
1.827
220.0821
DEOXYADENOSINE (M+CL)-
Deoxyadenosine
ME204446
13730
-
1.835
251.1027
4-PYRIDOXIC ACID (M-H)-
4-Pyridoxic acid
ME204435
6723
-
1.925
183.052
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME204452
115196
-
20.005
480.345
DEOXYCHOLIC ACID (2M-H)-
Deoxycholic acid
ME204447
222528
-
21.758
392.2899
DEOXYCHOLIC ACID (M+CL)-
Deoxycholic acid
ME204448
222528
-
21.783
392.2949
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME204449
222528
-
21.796
392.2927
TAUROLITHOCHOLIC ACID (M-H)-
Taurolithocholic acid
ME204484
439763
-
21.832
483.3019
LAURIC ACID (M-H)-
Lauric acid
ME204464
3893
-
21.846
200.1772
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME204469
5281119
-
22.129
226.1929
TRIDECANOIC ACID (M-H)-
Tridecylic acid
ME204488
12530
-
22.201
214.1923
16:0 LYSO PC (M+CL)-
LPC 16:0
ME204428
460602
-
22.305
495.3354
KYNURENINE (M-H)-
Kynurenine
ME204460
161166
-
2.244
208.0833
MYRISTIC ACID (M-H)-
Myristic acid
ME204468
11005
-
22.509
228.209
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME204477
445638
-
22.638
254.2248
18:0 LYSO-PE (M-H)-
LPE 18:0
ME204429
9547068
-
22.715
481.3189
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME204451
445580
-
22.741
328.2408
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME204441
444899
-
22.754
304.2404
LINOLEIC ACID (M-H)-
Linoleic acid
ME204465
5280450
-
22.77
280.2405
PALMITIC ACID (M-H)-
Palmitic acid
ME204476
985
-
22.897
256.2404
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-
p-Acetamidophenylglucuronide
ME204475
83944
-
2.291
327.0953
OLEIC ACID (M-H)-
Oleic acid
ME204473
445639
-
22.978
282.2562
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME204454
10465
-
23.052
270.2554
STEARIC ACID (M-H)-
Stearic acid
ME204482
5281
-
23.252
284.2717
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME204443
5282768
-
23.331
310.2872
PHYTANIC ACID (M-H)-
Phytanic acid
ME204480
10380830
-
23.341
312.3011
ARACHIDIC ACID (M-H)-
Arachidic acid
ME204440
10467
-
23.686
312.3023
ERUCIC ACID (M-H)-
cis-Erucic acid
ME204453
5281116
-
23.761
338.3183
BEHENIC ACID (M-H)-
Behenic acid
ME204442
8215
-
24.232
340.3337
NERVONIC ACID (M-H)-
Nervonic acid
ME204472
5281120
-
24.273
366.3496
TRICOSANOIC ACID (M-H)-
Tricosylic acid
ME204487
17085
-
24.463
354.3493
3-METHYLXANTHINE (M-H)-
3-Methylxanthine
ME204433
70639
-
2.467
166.0487
PHENYLALANINE (M-H)-
Phenylalanine
ME204479
6140
-
2.569
165.0788
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME204478
6613
-
3.362
219.11
ADIPIC ACID (M-H)-
Adipic acid
ME204438
196
-
3.662
146.0581
TRYPTOPHAN (M-H)-
Tryptophan
ME204489
6305
-
3.683
204.0865
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME204462
16217285
-
3.684
206.084
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME204431
440177
-
3.901
182.0573
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME204497
449093
-
3.968
219.1117
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME204496
449093
-
3.969
219.1114
N-ACETYL-DL-METHIONINE (M-H)-
N-Acetylmethionine
ME204470
448580
-
4.161
191.0606
3-METHYL-2-OXOPENTANOIC ACID (M-H)-
3-Methyl-2-oxovaleric acid
ME204432
440877
-
4.435
130.0631
THEOPHYLLINE (M-H)-
Theophylline
ME204485
2153
-
4.517
180.0639
4-METHYL-2-OXOPENTANOIC ACID (M-H)-
Ketoleucine
ME204434
70
-
4.847
130.0631
HIPPURIC ACID (M-H)-
Hippuric acid
ME204455
464
-
4.909
179.0579
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME204463
227
-
5.446
138.0444
HOMOVANILLIC ACID (2M-H)-
Homovanillic acid
ME204456
1738
-
5.831
182.0579
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
SPERMIDINE (M+H)+
Spermidine
ME204587
1102
-
0.537
145.1577
SPERMINE (M+H)+
Spermine
ME204588
1103
-
0.54
202.216
LYSINE (M+H)+
Lysine
ME204564
5962
-
0.543
146.1054
ORNITHINE (M+H)+
Ornithine
ME204580
6262
-
0.544
132.0899
LYSINE (M+NA)+
Lysine
ME204565
5962
-
0.571
146.1049
L-ARGININE (M+NA)+
Arginine
ME204561
6322
-
0.619
174.1114
L-ARGININE (M+H)+
Arginine
ME204560
6322
-
0.635
174.1114
CARNITINE (M+H)+
Carnitine
ME204521
10917
-
0.646
161.1044
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME204523
1014
-
0.657
183.0677
CYSTATHIONINE (M+H)+
Cystathionine
ME204526
439258
-
0.658
222.067
MANNITOL (M+NA)+
Mannitol
ME204566
6251
-
0.667
182.0758
ASPARAGINE (M+H)+
Asparagine
ME204516
6267
-
0.672
132.0532
SUCROSE (M+NA)+
Sucrose
ME204589
5988
-
0.683
342.1129
METHYL BETA-D-GALACTOSIDE (M+NA)+
Methyl beta-D-galactoside
ME204568
94214
-
0.684
194.079
PROLINE (M+H)+
Proline
ME204584
145742
-
0.69
115.0623
2-DEOXY-D-GLUCOSE (M+NA)+
2-Deoxy-glucose
ME204504
439268
-
0.692
164.0673
CREATININE (M+H)+
Creatinine
ME204525
588
-
0.698
113.0579
GLUCOSE (M+NA)+
Glucose
ME204539
5793
-
0.699
180.0621
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+
CDP-choline
ME204527
13804
-
0.704
488.1096
5-AMINOPENTANOIC ACID (M+H)+
5-Aminopentanoic acid
ME204509
138
-
0.713
117.0785
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME204586
439285
-
0.714
257.1016
GUANINE (M+H)+
Guanine
ME204546
764
-
0.873
151.0475
VALINE (M+NA)+
Valine
ME204602
6287
-
0.903
117.078
VALINE (M+H)+
Valine
ME204601
6287
-
0.904
117.0791
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME204571
65249
-
0.914
147.053
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME204513
6083
-
0.946
347.063
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]
3-Dehydroshikimate
ME204505
439774
-
0.947
172.0349
PIPECOLIC ACID (M+H)+
Pipecolic acid
ME204583
849
-
0.958
129.0774
DUMP (M+H)+
dUMP
ME204532
65063
-
0.982
308.0431
METHIONINE (M+H)+
Methionine
ME204567
6137
-
1.002
149.051
URIC ACID (M+H)+
Uric acid
ME204597
1175
-
1.025
168.0284
URIC ACID (M+NA)+
Uric acid
ME204598
1175
-
1.025
168.0292
CITRIC ACID (M+NA)+
Citric acid
ME204524
311
-
1.048
192.027
HYPOXANTHINE (M+H)+
Hypoxanthine
ME204550
790
-
1.108
136.0392
NICOTINAMIDE (M+H)+
Niacinamide
ME204572
936
-
1.124
122.046
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME204510
7405
-
1.216
129.0444
TYROSINE (M+H)+
Tyrosine
ME204595
6057
-
1.343
181.074
TYROSINE (M+NA)+
Tyrosine
ME204596
6057
-
1.345
181.0737
URIDINE (M+NA)+
Uridine
ME204600
6029
-
1.381
244.0694
DECENOYLCARNITINE (*) (M+H)+
CAR 10:1
ME204529
57357170
-
13.816
313.2256
URIDINE (M+H)+
Uridine
ME204599
6029
-
1.382
244.0693
ISOLEUCINE (M+H)+
Isoleucine
ME204555
6306
-
1.576
131.0949
ISOLEUCINE (M+NA)+
Isoleucine
ME204556
6306
-
1.6
131.0943
ESTRONE (M+H)+
Estrone
ME204537
5870
-
16.476
270.1604
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME204585
107738
-
1.667
217.1314
DODECENOYLCARNITINE (*) II M+
CAR 12:1
ME204531
53481671
-
16.763
342.2645
LAUROYLCARNITINE (M+H)+
CAR 12:0
ME204563
168381
-
17.824
343.2712
INDOLE-3-ACETALDEHYDE (M+H)+
Indoleacetaldehyde
ME204552
800
-
1.812
159.0683
EPIANDROSTERONE (M+H)+[-H2O]
Epiandrosterone
ME204534
441302
-
18.198
290.2231
GLYCOCHOLIC ACID (M+H)+[-H2O]
Glycocholic acid
ME204545
10140
-
18.818
465.3088
IBUPROFEN (M+NA)+
Ibuprofen
ME204551
114864
-
18.995
206.13
EPIBRASSINOLIDE [ISTD] (M+H)+
24-epi-Brassinolide
ME204535
115196
-
19.986
480.3464
EPIBRASSINOLIDE [ISTD] (M+NA)+
24-epi-Brassinolide
ME204536
115196
-
19.986
480.3464
3-METHOXYTYROSINE (M+H)+
3-Methoxytyrosine
ME204507
9307
-
2.04
211.0845
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]
Glycochenodeoxycholic acid
ME204543
9548796
-
20.45
449.3151
GLYCOCHENODEOXYCHOLIC ACID (M+H)+
Glycochenodeoxycholic acid
ME204542
9548796
-
20.456
449.3123
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+
Glycochenodeoxycholic acid
ME204544
9548796
-
20.456
449.3147
GLYCEROL MYRISTATE (M+H)+[-H2O]
MG 14:0
ME204540
79050
-
22.148
302.2438
EICOSANOYLCARNITINE (*) (M+H)+
CAR 20:0
ME204533
53477833
-
22.178
455.3898
GLYCEROL MYRISTATE (M+NA)+
MG 14:0
ME204541
79050
-
22.204
302.2433
KYNURENINE (M+NA)+
Kynurenine
ME204559
161166
-
2.226
208.0808
16:0 LYSO PC (M+H)+
LPC 16:0
ME204500
460602
-
22.304
495.3338
16:0 LYSO PC (M+NA)+
LPC 16:0
ME204501
460602
-
22.306
495.3338
KYNURENINE (M+H)+
Kynurenine
ME204558
161166
-
2.233
208.0844
OLEIC ACID (M+NA)+
Oleic acid
ME204576
445639
-
22.585
282.2545
OLEAMIDE (M+H)+
Oleamide
ME204574
5283387
-
22.658
281.2726
OLEAMIDE (M+NA)+
Oleamide
ME204575
5283387
-
22.658
281.2726
18:0 LYSO-PE (M+H)+
LPE 18:0
ME204503
9547068
-
22.7
481.3189
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME204579
5319879
-
22.737
356.2935
OLEOYL-GLYCEROL (M+H)+
MG 18:1
ME204577
5319879
-
22.751
356.2921
OLEOYL-GLYCEROL (M+H)+[-H2O]
MG 18:1
ME204578
5319879
-
22.754
356.2886
DECANOIC ACID (2M+NA)+
Capric acid
ME204528
2969
-
22.778
172.1441
ALPHA-LINOLENIC ACID (M+NA)+
alpha-Linolenic acid
ME204514
5280934
-
22.882
278.223
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME204517
8343
-
23.143
390.2789
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME204518
8343
-
23.143
390.2785
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME204515
14985
-
24.615
430.3804
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME204522
5997
-
24.697
386.3556
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME204499
80220
-
2.557
166.0482
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME204502
18631368
-
25.632
761.5912
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME204554
168379
-
2.849
231.1471
BUTYRYLCARNITINE (*) (M+H)+
CAR 4:0
ME204519
213144
-
2.951
231.1471
ACETAMINOPHEN (TN TYLENOL) (M+NA)+
Acetaminophen
ME204512
1983
-
2.989
151.0633
1-METHYLADENOSINE (M+H)+
1-Methyladenosine
ME204498
27476
-
3.062
281.1126
ACETAMINOPHEN (TN TYLENOL) (M+H)+
Acetaminophen
ME204511
1983
-
3.124
151.0633
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME204581
6613
-
3.35
219.1109
PANTOTHENIC ACID (M+NA)+
Pantothenic acid
ME204582
6613
-
3.35
219.1114
THEOBROMINE (M+H)+
Theobromine
ME204590
5429
-
3.535
180.065
ETHYL 3-UREIDOPROPIONATE (M+H)+
Ethyl 3-(carbamoylamino)propanoate
ME204538
3613685
-
3.66
160.0817
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME204562
16217285
-
3.669
206.0851
TRYPTOPHAN (M+H)+
Tryptophan
ME204593
6305
-
3.669
204.0875
TRYPTOPHAN (M+NA)+
Tryptophan
ME204594
6305
-
3.67
204.0874
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME204603
449093
-
3.955
219.1125
THEOPHYLLINE (M+H)+
Theophylline
ME204591
2153
-
4.313
180.0651
THEOPHYLLINE (M+NA)+
Theophylline
ME204592
2153
-
4.46
180.0644
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME204508
439176
-
4.564
297.0888
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME204557
169235
-
4.629
245.163
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]
3-Hydroxybenzaldehyde
ME204506
101
-
4.889
122.0371
HIPPURIC ACID (M+H)+
Hippuric acid
ME204548
464
-
4.889
179.0588
HIPPURIC ACID (M+NA)+
Hippuric acid
ME204549
464
-
4.889
179.0587
CAFFEINE (M+H)+
Caffeine
ME204520
2519
-
5.982
194.0823
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME204547
3246939
-
7.161
260.1867
N-ACETYL-D-TRYPTOPHAN (M+NA)+
N-Acetyl-D-tryptophan
ME204570
439917
-
8.03
246.1014
N-ACETYL-D-TRYPTOPHAN (M+H)+
N-Acetyl-D-tryptophan
ME204569
439917
-
8.033
246.101
DETHIOBIOTIN (M+H)+[-H2O]
Dethiobiotin
ME204530
445027
-
8.177
214.1352
INDOLE-3-ACETIC ACID (M+H)+
Indoleacetic acid
ME204553
802
-
8.5
175.0635
OCTENOYLCARNITINE (*) M+
CAR 8:1
ME204573
71464472
-
9.622
286.2027
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