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Return to study ST000724 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
ALPHA-KETO-GLUTARIC ACID (M-H)-
2-Oxoglutaric acid
ME203474
51
-
0.922
146.0216
4-METHYL-2-OXOPENTANOIC ACID (M-H)-
Ketoleucine
ME203459
70
-
4.88
130.0631
2-OXOADIPIC ACID (M-H)-
Oxoadipic acid
ME203439
71
-
1.297
160.0369
3-SULFINO-L-ALANINE (M-H)-
3-Sulfino-alanine
ME203455
109
-
0.632
153.0102
3-UREIDOPROPIONIC ACID (M-H)-
Ureidopropionic acid
ME203456
111
-
0.884
132.0515
4-HYDROXYPHENYLACETIC ACID (M-H)-
4-Hydroxyphenylacetic acid
ME203458
127
-
4.794
152.0468
4-HYDROXYBENZOIC ACID (M-H)-
4-Hydroxybenzoic acid
ME203457
135
-
4.162
138.0312
5-AMINOPENTANOIC ACID (M-H)-
5-Aminopentanoic acid
ME203463
138
-
0.735
117.0776
ADIPIC ACID (M-H)-
Adipic acid
ME203469
196
-
3.653
146.0577
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME203562
227
-
5.463
138.0445
BENZOIC ACID #2 (M-H)-
Benzoic acid
ME203480
243
-
8.317
122.0368
BENZOIC ACID (M-H)-
Benzoic acid
ME203481
243
-
5.063
122.0367
CITRIC ACID (M-H)-
Citric acid
ME203489
311
-
1.048
192.0269
SALICYLIC ACID (M-H)-
Salicylic acid
ME203630
338
-
3.834
138.0313
4-NITROPHENYL PHOSPHATE (M-H)-
4-Nitrophenyl phosphate
ME203460
378
-
2.465
218.9892
CAPRYLIC ACID (M-H)-
Caprylic acid
ME203484
379
-
10.244
144.1144
PIMELIC ACID (M-H)-
Pimelic acid
ME203614
385
-
5.714
160.073
HIPPURIC ACID (M-H)-
Hippuric acid
ME203539
464
-
4.924
179.0581
METHYLMALONIC ACID (M-H)-
Methylmalonic acid
ME203577
487
-
1.541
118.0265
CREATINE (M-H)-
Creatine
ME203492
586
-
0.66
131.0687
SERINE (M-H)-
Serine
ME203632
617
-
0.61
105.0433
GLUTARIC ACID (M-H)-
Glutaric acid
ME203527
743
-
2.105
132.042
GLYCINE (M-H)-
Glycine
ME203532
750
-
0.706
75.0327
GUANIDINOACETIC ACID (M-H)-
Guanidoacetic acid
ME203533
763
-
0.737
117.055
GUANINE (M-H)-
Guanine
ME203534
764
-
0.829
151.0485
HOMOGENTISIC ACID (M-H)-
Homogentisic acid
ME203541
780
-
2.305
168.0427
HYPOXANTHINE (M-H)-
Hypoxanthine
ME203545
790
-
1.102
136.0377
ITACONIC ACID (M-H)-
Itaconic acid
ME203553
811
-
1.884
130.0264
PIPECOLIC ACID (M-H)-
Pipecolic acid
ME203616
849
-
0.793
129.0768
3-HYDROXYPYRUVIC ACID (M-H)-
Hydroxypyruvic acid
ME203449
964
-
0.801
104.011
OROTIC ACID (M-H)-
Orotic acid
ME203601
967
-
0.706
156.0166
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME203603
970
-
0.561
132.0035
OXALIC ACID (M-H)-
Oxalic acid
ME203602
971
-
0.703
89.9959
PALMITIC ACID (M-H)-
Palmitic acid
ME203605
985
-
22.882
256.2406
PHENYLPYRUVIC ACID (M-H)-
Phenylpyruvic acid
ME203610
997
-
5.514
164.0469
PHTHALIC ACID (M-H)-
Phthalic acid
ME203611
1017
-
4.947
166.0272
PICOLINIC ACID (M-H)-
Picolinic acid
ME203613
1018
-
0.804
123.0306
PURINE (M-H)-
Purine
ME203621
1044
-
1.391
120.0429
PYRUVIC ACID (M-H)-
Pyruvic acid
ME203623
1060
-
0.715
88.0164
N-ACETYLGLYCINE (M-H)-
N-Acetylglycine
ME203585
1097
-
0.925
117.0422
SUCCINIC ACID (M-H)-
Succinic acid
ME203637
1110
-
1.34
118.0264
TAURINE (M-H)-
Taurine
ME203639
1123
-
0.607
125.0149
URIC ACID (M-H)-
Uric acid
ME203655
1175
-
1.004
168.0272
XANTHINE (M-H)-
Xanthine
ME203661
1188
-
1.295
152.033
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-
3-Hydroxymethylglutaric acid
ME203445
1662
-
1.578
162.0517
HOMOVANILLIC ACID (2M-H)-
Homovanillic acid
ME203542
1738
-
5.854
182.0582
HOMOVANILLIC ACID (M-H)-
Homovanillic acid
ME203543
1738
-
5.874
182.0558
5-HYDROXYINDOLEACETIC ACID (M-H)-
5-Hydroxyindoleacetic acid
ME203464
1826
-
4.179
191.0603
AZELAIC ACID (M-H)-
Azelaic acid
ME203478
2266
-
10.754
188.1045
GLYCEROL 2-PHOSPHATE (M-H)-
sn-Glycero-2-phosphate
ME203530
2526
-
0.834
172.0133
KYNURENIC ACID (M-H)-
Kynurenic acid
ME203554
3845
-
5.033
189.041
LAURIC ACID (M-H)-
Lauric acid
ME203564
3893
-
21.84
200.1775
NICOTINIC ACID MONONUCLEOTIDE (M-H)-
Nicotinic acid mononucleotide
ME203593
4484
-
0.69
335.0467
SEBACIC ACID (M-H)-
Sebacic acid
ME203631
5192
-
12.977
202.1205
STEARIC ACID (M-H)-
Stearic acid
ME203635
5281
-
23.229
284.2721
XANTHURENIC ACID (M-H)-
Xanthurenic acid
ME203663
5699
-
4.593
205.0369
CORTISOL 21-ACETIC ACID (M+CL)-
Cortisol 21-acetate
ME203491
5744
-
15.748
404.2252
RIBOSE (M+CL)-
Ribose
ME203628
5779
-
0.672
150.053
THYMIDINE (M+CL)-
Thymidine
ME203642
5789
-
2.833
242.09
THYMIDINE (M-H)-
Thymidine
ME203643
5789
-
2.831
242.0891
GLUCOSE (M+CL)-
Glucose
ME203523
5793
-
0.643
180.0635
NAD (M-H)-
NAD
ME203591
5893
-
1.009
663.1044
D-GLUCOSE 6-PHOSPHATE (M-H)-
Glucose 6-phosphate
ME203498
5958
-
0.673
260.0267
ASPARTIC ACID (M-H)-
Aspartic acid
ME203477
5960
-
0.61
133.0373
GLUTAMINE (M-H)-
Glutamine
ME203526
5961
-
0.61
146.0689
LYSINE (M-H)-
Lysine
ME203568
5962
-
0.563
146.1048
SUCROSE (M+CL)-
Sucrose
ME203638
5988
-
0.684
342.1178
INOSINE (M+CL)-
Inosine
ME203547
6021
-
1.875
268.0808
INOSINE (M-H)-
Inosine
ME203548
6021
-
1.875
268.0809
URIDINE (M+CL)-
Uridine
ME203656
6029
-
1.353
244.0695
URIDINE (M-H)-
Uridine
ME203657
6029
-
1.388
244.0691
URIDINE-5-MONOPHOSPHATE #2 (M-H)-
UMP
ME203658
6030
-
0.857
324.0309
TYROSINE (M-H)-
Tyrosine
ME203651
6057
-
1.339
181.0734
ADENOSINE 5'-MONOPHOSPHATE (M-H)-
AMP
ME203467
6083
-
0.945
347.0626
METHIONINE (M-H)-
Methionine
ME203574
6137
-
0.99
149.0493
PHENYLALANINE (M-H)-
Phenylalanine
ME203609
6140
-
2.568
165.0786
17ALPHA-HYDROXYPROGESTERONE (M+CL)-
17alpha-Hydroxyprogesterone
ME203428
6238
-
17.864
330.2145
17ALPHA-HYDROXYPROGESTERONE (M+CL)-[-H2O]
17alpha-Hydroxyprogesterone
ME203429
6238
-
17.634
330.221
MANNITOL (M-H)-
Mannitol
ME203573
6251
-
0.612
182.077
ORNITHINE (M-H)-
Ornithine
ME203600
6262
-
0.599
132.0892
L-HISTIDINE (M-H)-
Histidine
ME203559
6274
-
0.601
155.069
VALINE (M-H)-
Valine
ME203660
6287
-
0.866
117.0773
TRYPTOPHAN (2M-H)-
Tryptophan
ME203649
6305
-
3.678
204.0874
TRYPTOPHAN (M-H)-
Tryptophan
ME203650
6305
-
3.679
204.0865
ISOLEUCINE (M-H)-
Isoleucine
ME203552
6306
-
1.566
131.094
L-ARGININE (M-H)-
Arginine
ME203556
6322
-
0.606
174.1112
QUINIC ACID (M-H)-
Quinic acid
ME203624
6508
-
0.689
192.0613
PROPENOIC ACID (M-H)-
Propenoic acid
ME203617
6581
-
1.261
72.0216
PANTOTHENIC ACID (M+CL)-
Pantothenic acid
ME203607
6613
-
3.383
219.1104
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME203608
6613
-
3.376
219.1104
4-PYRIDOXIC ACID (M-H)-
4-Pyridoxic acid
ME203461
6723
-
1.909
183.0522
GUANOSINE (M+CL)-
Guanosine
ME203535
6802
-
1.864
283.0941
GUANOSINE (M-H)-
Guanosine
ME203536
6802
-
1.873
283.0912
GUANOSINE 5'-PHOSPHATE (M-H)-
GMP
ME203537
6804
-
0.997
363.0618
INOSINE 5'-DIPHOSPHATE (M-H)-
IDP
ME203549
6831
-
0.738
428.0171
5-OXOPROLINE (M-H)-
Pyroglutamic acid
ME203466
7405
-
1.221
129.042
3-HYDROXYBENZOIC ACID (M-H)-
3-Hydroxybenzoic acid
ME203446
7420
-
5.036
138.0314
TEREPHTHALIC ACID (M-H)-
Terephthalic acid
ME203641
7489
-
5.738
166.0264
BEHENIC ACID (M-H)-
Behenic acid
ME203479
8215
-
24.203
340.3343
INOSINE 5'-PHOSPHATE (M-H)-
IMP
ME203550
8582
-
0.962
348.0491
3-METHOXYTYROSINE (M-H)-
3-Methoxytyrosine
ME203450
9307
-
2.047
211.0811
CITRULLINE (M-H)-
Citrulline
ME203490
9750
-
0.648
175.0949
HOMOCYSTINE (M-H)-
Homocystine
ME203540
10010
-
0.719
268.0532
OXOMALONIC ACID (M-H)-
Mesoxalic acid
ME203604
10132
-
0.671
117.9886
ADENOSINE 5'-PHOSPHOSULFATE (M-H)-
Adenosine phosphosulfate
ME203468
10238
-
0.781
427.0234
SUBERIC ACID (M-H)-
Suberic acid
ME203636
10457
-
8.087
174.0879
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME203538
10465
-
23.048
270.2558
ARACHIDIC ACID (M-H)-
Arachidic acid
ME203475
10467
-
23.667
312.3026
GLUCONIC ACID (M-H)-
Gluconic acid
ME203522
10690
-
0.68
196.0566
L-CARNITINE (M+CL)-
Carnitine
ME203557
10917
-
0.636
161.1035
MYRISTIC ACID (M-H)-
Myristic acid
ME203579
11005
-
22.495
228.2088
LIGNOCERIC ACID (M-H)-
Lignoceric acid
ME203566
11197
-
24.919
368.3655
2-HYDROXYBUTYRIC ACID (M-H)-
2-Hydroxybutyric acid
ME203437
11266
-
1.763
104.0472
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-
2-Hydroxy-4-(methylthio)butanoic acid
ME203436
11427
-
3.244
150.0324
ETHYLMALONIC ACID (M-H)-
Ethylmalonic acid
ME203515
11756
-
2.731
132.042
3-HYDROXYKYNURENINE (M-H)-
Hydroxykynurenine
ME203447
11811
-
1.19
224.0776
3-HYDROXYPHENYLACETIC ACID (M-H)-
3-Hydroxyphenylacetic acid
ME203448
12122
-
9.189
152.0472
PYRROLE-2-CARBOXYLIC ACID (M-H)-
Pyrrole-2-carboxylic acid
ME203622
12473
-
3.418
111.0315
TRIDECANOIC ACID (M-H)-
Tridecylic acid
ME203648
12530
-
22.204
214.1931
DEHYDROEPIANDROSTERONE SULFATE (M-H)-
Dehydroepiandrosterone sulfate
ME203501
12594
-
15.461
368.1667
DEOXYURIDINE (M+CL)-
Deoxyuridine
ME203506
13712
-
1.63
228.075
DEOXYURIDINE (M-H)-
Deoxyuridine
ME203507
13712
-
1.729
228.075
DEOXYADENOSINE (M+CL)-
Deoxyadenosine
ME203502
13730
-
1.833
251.1024
CYTIDINE 5'-DIPHOSPHOCHOLINE (M-H)-
CDP-choline
ME203495
13804
-
0.699
488.1163
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (M-H)-
dCMP
ME203431
13945
-
0.816
307.0554
N-NITROSODIETHANOLAMINE (M+CL)-
N-Nitrosodiethanolamine
ME203589
14223
-
1.084
134.0709
TRICARBALLYLIC ACID (M-H)-
1,2,3-Propanetricarboxylic acid
ME203645
14925
-
1.355
176.0307
TRICARBALLYLIC ACID (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME203646
14925
-
1.315
176.0313
TRICOSANOIC ACID (M-H)-
Tricosylic acid
ME203647
17085
-
24.536
354.3497
METHYL VANILLATE (M-H)-
Methyl vanillate
ME203576
19844
-
9.627
182.0579
GLUTAMIC ACID (M-H)-
Glutamic acid
ME203525
33032
-
0.66
147.0543
GLUCARIC ACID (M-H)-
Glucaric acid
ME203521
33037
-
0.766
210.0383
ADP-RIBOSE (M-H)-
ADP-ribose
ME203470
33576
-
0.68
559.0721
XANTHOSINE (M-H)-
Xanthosine
ME203662
64959
-
2.361
284.0766
2'-DEOXYINOSINE (M+CL)-
Deoxyinosine
ME203432
65058
-
2.121
252.0872
2'-DEOXYINOSINE (M-H)-
Deoxyinosine
ME203433
65058
-
2.134
252.085
DUMP (M-H)-
dUMP
ME203512
65063
-
0.971
308.0402
N-ACETYL-ASPARTIC ACID (M-H)-
N-Acetylaspartic acid
ME203581
65065
-
0.994
175.0479
3-NITRO-L-TYROSINE (M-H)-
Nitrotyrosine
ME203452
65124
-
2.866
226.0617
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME203528
65359
-
1.403
612.1512
O-PHOSPHO-SERINE (2M-H)+
DL-O-Phosphoserine
ME203594
68841
-
0.757
185.0056
CYSTEIC ACID (M-H)-
Cysteic acid
ME203494
72886
-
0.684
187.012
PTERIN (M-H)-
Pterin
ME203620
73000
-
1.575
163.0503
N-ACETYL-L-PHENYLALANINE (M-H)-
N-Acetylphenylalanine
ME203584
74839
-
7.855
207.0888
OMEGA-HYDROXYDODECANOIC ACID (M-H)-
12-Hydroxy lauric acid
ME203598
79034
-
17.04
216.1715
GLYCEROL MYRISTATE (M+CL)-
MG 14:0
ME203531
79050
-
22.113
302.245
M-HYDROXYMANDELIC ACID (2M-H)-
3-Hydroxymandelic acid
ME203569
86957
-
2.044
168.0403
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME203583
88064
-
1.481
131.0573
L-METHIONINE SULFOXIMINE (M-H)-
Methionine sulfoximine
ME203560
89034
-
0.681
180.0604
ALLOPREGNANOLONE (M+CL)-
3alpha-Hydroxy-5alpha-pregnan-20-one
ME203472
92787
-
20.878
318.2592
ALLOPREGNANOLONE (M+CL)-[-H2O]
3alpha-Hydroxy-5alpha-pregnan-20-one
ME203473
92787
-
20.864
318.2599
RIBITOL (M+CL)-
Ribitol
ME203627
94154
-
0.65
152.0663
METHYL BETA-D-GALACTOSIDE (M+CL)-
Methyl beta-D-galactoside
ME203575
94214
-
0.756
194.0783
GLUCURONIC ACID (M-H)-
Glucuronic acid
ME203524
94715
-
0.617
194.0422
LANTHIONINE (M-H)-
Lanthionine
ME203563
102950
-
0.684
208.0553
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME203513
115196
-
20.025
480.3461
GAMMA-L-GLUTAMYL-L-CYSTEINE (M-H)-
gamma-Glutamylcysteine
ME203519
123938
-
0.976
250.0614
KYNURENINE (M-H)-
Kynurenine
ME203555
161166
-
2.236
208.082
PINITOL (M+CL)-
Pinitol
ME203615
164619
-
0.675
194.0789
CHOLIC ACID (M-H)-
Cholic acid
ME203485
221493
-
20.406
408.2862
DEOXYCHOLIC ACID (2M-H)-
Deoxycholic acid
ME203503
222528
-
21.783
392.2915
DEOXYCHOLIC ACID (M+CL)-
Deoxycholic acid
ME203504
222528
-
21.792
392.2938
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME203505
222528
-
21.8
392.2926
MALIC ACID (M-H)-
Malic acid
ME203572
222656
-
0.826
134.0217
MALIC ACID (M-H)+[-H2O]
Malic acid
ME203571
222656
-
0.937
134.0226
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
S-Adenosylhomocysteine
ME203629
439155
-
1.417
384.1287
5'-METHYLTHIOADENOSINE (M+CL)-
5'-Methylthioadenosine
ME203462
439176
-
4.557
297.0895
3-PHOSPHOGLYCERIC ACID (M-H)-
3-Phosphoglyceric acid
ME203454
439183
-
0.665
185.9905
GLYCERIC ACID (M-H)-
Glyceric acid
ME203529
439194
-
0.834
106.0267
D-GLUCOSAMINE (M+CL)-
Glucosamine
ME203496
439213
-
0.593
179.0803
DGDP (M-H)-
dGDP
ME203509
439220
-
1.346
427.0376
MEVALONIC ACID (M-H)-
Mevalonic acid
ME203578
439230
-
1.622
148.0725
RAFFINOSE (M+CL)-
Raffinose
ME203625
439242
-
0.684
504.1685
CYSTATHIONINE (M-H)-
Cystathionine
ME203493
439258
-
0.701
222.0664
2-DEOXY-D-GLUCOSE (M+CL)-
2-Deoxy-glucose
ME203434
439268
-
0.683
164.0687
5-HYDROXYTRYPTOPHAN (M-H)-
5-Hydroxy-tryptophan
ME203465
439280
-
1.817
220.0818
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-
sn-Glycero-3-phosphocholine
ME203633
439285
-
0.678
257.1059
O-SUCCINYL-L-HOMOSERINE (M-H)-
o-Succinylhomoserine
ME203595
439406
-
0.903
219.0728
STACHYOSE (M+CL)-
Stachyose
ME203634
439531
-
0.683
666.2115
3-OXALOMALIC ACID (M-H)-[-H2O]
3-Oxalomalic acid
ME203453
439620
-
0.687
206.0085
ALLANTOIN (M-H)-
Allantoin
ME203471
439714
-
0.659
158.0441
TAUROLITHOCHOLIC ACID (M-H)-
Taurolithocholic acid
ME203640
439763
-
21.83
483.2993
3-DEHYDROSHIKIMIC ACID (M-H)-
3-Dehydroshikimate
ME203444
439774
-
0.96
172.0387
L-FUCOSE 1-PHOSPHATE (M-H)-
Fucose 1-phosphate
ME203558
439871
-
0.782
244.0315
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]
Guanidinosuccinic acid
ME203587
439918
-
0.751
175.0628
N-AMIDINO-ASPARTIC ACID (M-H)-
Guanidinosuccinic acid
ME203588
439918
-
0.642
175.056
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-
Hydroxyphenyllactic acid
ME203442
440177
-
3.845
182.0575
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME203443
440177
-
3.845
182.0575
DEHYDROASCORBIC ACID (M+CL)-
L-Dehydroascorbic acid
ME203500
440667
-
0.876
174.0156
3-METHYL-2-OXOPENTANOIC ACID (M-H)-
3-Methyl-2-oxovaleric acid
ME203451
440877
-
4.47
130.0631
INDICAN (2M+CL)-[-H2O]
Indican
ME203546
441564
-
0.706
295.1071
CITRAMALIC ACID (M-H)-
Citramalic acid
ME203488
441696
-
1.439
148.0364
TRANS-ACONITIC ACID (M-H)-
trans-Aconitic acid
ME203644
444212
-
1.235
174.0162
MALEIC ACID (M-H)-
Maleic acid
ME203570
444266
-
1.016
116.0108
DEPHOSPHO-COA (M-H)-
3'-Dephospho-CoA
ME203508
444485
-
3.604
687.157
RETINOIC ACID (M-H)-
Retinoic acid
ME203626
444795
-
22.33
300.2098
N-ACETYLNEURAMINIC ACID (M-H)-
N-Acetylneuraminic acid
ME203586
444885
-
0.681
309.1043
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME203476
444899
-
22.743
304.2409
FUMARIC ACID (M-H)-
Fumaric acid
ME203518
444972
-
1.264
116.0103
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME203511
445580
-
22.73
328.2409
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME203606
445638
-
22.636
254.2246
OLEIC ACID (M-H)-
Oleic acid
ME203596
445639
-
22.963
282.2564
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-
UDP-N-acetylglucosamine
ME203653
445675
-
1.209
607.0814
FERULATE #2 (M-H)-
trans-Ferulic acid
ME203516
445858
-
8.085
194.0567
N-ACETYL-D-GLUCOSAMINE (M+CL)-
N-Acetyl-D-glucosamine
ME203582
446101
-
0.675
221.0903
GERANYLGERANYL DIPHOSPHATE (M-H)-
Geranylgeranyl diphosphate
ME203520
447277
-
23.299
450.1873
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME203664
449093
-
3.949
219.1119
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME203665
449093
-
3.953
219.1118
16:0 LYSO PC (M+CL)-
LPC 16:0
ME203426
460602
-
22.286
495.3339
CIS-ACONITIC ACID (M-H)-
cis-Aconitic acid
ME203487
643757
-
1.517
174.0166
2-METHYLMALEIC ACID #2 (M-H)-
Citraconic acid
ME203438
643798
-
2.253
130.0265
FLAVIN ADENINE DINUCLEOTIDE (M-H)-
FAD
ME203517
643975
-
6.343
785.1574
UROCANIC ACID (M-H)-
Urocanic acid
ME203659
736715
-
0.939
138.042
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME203435
853180
-
3.542
118.0629
D-MANNOSAMINE (M-H)-[-H2O]
2-Amino-2-deoxy-D-mannose
ME203499
3034366
-
0.696
179.0795
D-GLUCOSAMINE 6-SULFATE (M-H)-
Glucosamine 6-sulfate
ME203497
3330962
-
0.666
259.0325
PROSTAGLANDIN E2 (M-H)-
PGE2
ME203618
5280360
-
16.74
352.2243
PROSTAGLANDIN E2 (M-H)-[-H2O]
PGE2
ME203619
5280360
-
16.73
352.2238
LINOLEIC ACID (M-H)-
Linoleic acid
ME203567
5280450
-
22.757
280.2406
LEUKOTRIENE B4 (M-H)-
LTB4
ME203565
5280492
-
20.678
336.23
ERUCIC ACID (M-H)-
cis-Erucic acid
ME203514
5281116
-
23.738
338.3183
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME203580
5281119
-
22.163
226.1928
NERVONIC ACID (M-H)-
Nervonic acid
ME203592
5281120
-
24.282
366.3499
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME203486
5282768
-
23.313
310.2877
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME203544
5283820
-
22.857
392.2953
ISOCITRIC ACID (M-H)-
Isocitric acid
ME203551
5318532
-
0.746
192.027
OLEOYL-GLYCEROL (M+CL)-
MG 18:1
ME203597
5319879
-
22.749
356.2992
N-OLEOYLGLYCINE (M-H)-
N-Oleoyl glycine
ME203590
6436908
-
22.578
339.2762
URACIL 5-CARBOXYLIC ACID (M-H)-
Uracil-5-carboxylic acid
ME203654
6971263
-
1.234
156.0195
OPHTHALMIC ACID (M-H)-
Ophthalmic acid
ME203599
7018721
-
1.245
289.1262
18:0 LYSO-PE (M-H)-
LPE 18:0
ME203430
9547068
-
22.649
481.3185
PHYTANIC ACID (M-H)-
Phytanic acid
ME203612
10380830
-
23.321
312.299
BIOTIN (M-H)-
Biotin
ME203482
11966127
-
6.329
244.0908
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME203561
16217285
-
3.68
206.0841
16:0-18:0 PC (M+CL)-
PC 16:0_18:0
ME203427
18631368
-
25.544
761.5946
20:0 LYSO PC (M+CL)-
LPC 20:0
ME203440
24779473
-
22.993
551.3969
24:0 SM (D18:1/24:0) (M+CL)-
SM 18:1;O2/24:0
ME203441
44260127
-
27.963
814.6937
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)-
-
ME203483
46891735
-
23.239
643.492
UDP-GLUCOSE (M-H)-
UDP-glucose
ME203652
53477679
-
1.232
566.0561
DIHYDROXYFUMARIC ACID (M-H)-
(E)-2,3-Dihydroxybut-2-enedioic acid
ME203510
54678503
-
0.679
147.9993
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
ALPHA-KETO-GLUTARIC ACID (M+H)+[-H2O]
2-Oxoglutaric acid
ME203751
51
-
1.051
146.0213
4-METHYL-2-OXOVALERIC ACID (M+NA)+
Ketoleucine
ME203721
70
-
4.841
130.0635
3-HYDROXYANTHRANILIC ACID (M+H)+
3-Hydroxyanthranilic acid
ME203707
86
-
2.971
153.0433
ACETOACETIC ACID (M+H)+
Acetoacetic acid
ME203735
96
-
2.652
102.0316
O-PHOSPHO-DL-SERINE (2M+H)+
DL-O-Phosphoserine
ME203968
106
-
0.725
185.0108
O-PHOSPHO-DL-SERINE (2M+NA)+
DL-O-Phosphoserine
ME203969
106
-
0.765
185.0073
3-UREIDOPROPIONIC ACID (M+H)+
Ureidopropionic acid
ME203716
111
-
0.834
132.0511
4-HYDROXYBENZALDEHYDE (M+H)+
4-Hydroxybenzaldehyde
ME203720
126
-
5.077
122.0367
5-AMINOLEVULINIC ACID (M+NA)+
5-Amino-levulinic acid
ME203726
137
-
0.683
131.0574
5-AMINOPENTANOIC ACID (M+H)+
5-Aminopentanoic acid
ME203727
138
-
0.698
117.078
N-ACETYL-GLUTAMIC ACID (M+H)+
N-Acetylglutamic acid
ME203934
185
-
1.332
189.0606
N-ACETYL-GLUTAMIC ACID (M+H)+[-H2O]
N-Acetylglutamic acid
ME203935
185
-
1.305
189.064
N-ACETYL-GLUTAMIC ACID (M+NA)+
N-Acetylglutamic acid
ME203936
185
-
1.334
189.0653
ACETYLCHOLINE M+
Acetylcholine
ME203738
187
-
3.963
146.1167
ADIPIC ACID (M+H)+
Adipic acid
ME203740
196
-
3.682
146.0554
ADIPIC ACID (M+NA)+
Adipic acid
ME203741
196
-
3.591
146.0589
L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+
2-Aminobenzoic acid
ME203901
227
-
5.378
138.047
CHOLINE M+
Choline
ME203780
305
-
0.616
104.1075
CITRIC ACID (M+H)+[-H2O]
Citric acid
ME203783
311
-
1.049
192.0253
CITRIC ACID (M+NA)+
Citric acid
ME203784
311
-
1.048
192.0275
PIMELIC ACID (M+H)+[-H2O]
Pimelic acid
ME203991
385
-
5.695
160.0741
PIMELIC ACID (M+NA)+
Pimelic acid
ME203992
385
-
5.676
160.0766
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (M+NA)+
-
ME203866
451
-
1.025
589.0835
1-METHYLNICOTINAMIDE M+
1-Methyl nicotinamide
ME203667
457
-
0.616
137.0697
METHYLMALONIC ACID (M+NA)+
Methylmalonic acid
ME203921
487
-
1.358
118.0264
CREATINE (M+H)+
Creatine
ME203791
586
-
0.697
131.0703
CREATININE (M+H)+
Creatinine
ME203792
588
-
0.724
113.0575
SERINE (M+H)+
Serine
ME204023
617
-
0.998
105.0418
3-DEHYDROXYCARNITINE (M+H)+
3-Dehydroxycarnitine
ME203704
725
-
0.7
145.1074
GLUTARIC ACID (M+NA)+
Glutaric acid
ME203850
743
-
2.125
132.0428
GLYCINE (M+H)+
Glycine
ME203856
750
-
0.712
75.0329
GUANIDINOACETIC ACID (M+H)+
Guanidoacetic acid
ME203861
763
-
0.686
117.0533
GUANINE (2M+NA)+
Guanine
ME203862
764
-
0.849
151.0479
GUANINE (M+H)+
Guanine
ME203863
764
-
0.869
151.0473
GUANINE (M+NA)+
Guanine
ME203864
764
-
0.881
151.0485
HOMOGENTISIC ACID (M+H)+
Homogentisic acid
ME203869
780
-
2.144
168.0402
HOMOGENTISIC ACID (M+H)+[-H2O]
Homogentisic acid
ME203870
780
-
2.167
168.0398
HYPOXANTHINE (M+H)+
Hypoxanthine
ME203875
790
-
1.105
136.0386
HYPOXANTHINE (M+NA)+
Hypoxanthine
ME203876
790
-
1.073
136.0387
INDOLE-3-ACETALDEHYDE (M+H)+
Indoleacetaldehyde
ME203879
800
-
1.804
159.0685
ITACONIC ACID (M+H)+[-H2O]
Itaconic acid
ME203888
811
-
1.925
130.027
PIPECOLIC ACID (M+H)+
Pipecolic acid
ME203993
849
-
0.955
129.0777
PIPECOLIC ACID (M+NA)+
Pipecolic acid
ME203994
849
-
0.956
129.0772
MELATONIN (M+NA)+
Melatonin
ME203916
896
-
8.705
232.1224
N-ACETYLSEROTONIN (2M+NA)+
N-Acetylserotonin
ME203944
903
-
5.021
218.1012
N-ACETYLSEROTONIN (M+H)+
N-Acetylserotonin
ME203945
903
-
5.047
218.1046
N-ACETYLSEROTONIN (M+NA)+
N-Acetylserotonin
ME203946
903
-
5.043
218.1063
NICOTINAMIDE (M+H)+
Niacinamide
ME203961
936
-
1.108
122.0476
NICOTINIC ACID (M+H)+
Nicotinic acid
ME203965
938
-
0.991
123.0332
NORADRENALINE (M+H)+
Xi-Norepinephrine
ME203966
951
-
0.681
169.0751
NORADRENALINE (M+H)+[-H2O]
Xi-Norepinephrine
ME203967
951
-
0.591
169.071
OROTIC ACID (M+H)+
Orotic acid
ME203984
967
-
0.857
156.0187
PHENYLACETIC ACID (M+H)+
Phenylacetic acid
ME203988
999
-
3.941
136.0525
PHENETHYLAMINE (M+H)+
Phenylethylamine
ME203987
1001
-
2.896
121.0873
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME203781
1014
-
0.637
183.0659
CHOLINE PHOSPHATE (M+NA)+
Choline phosphate
ME203782
1014
-
0.671
183.0629
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+
Phosphoethanolamine
ME203687
1015
-
0.629
141.0184
ETHANOLAMINE PHOSPHATE (M+H)+
Phosphoethanolamine
ME203834
1015
-
0.664
141.0216
PURINE (M+H)+
Purine
ME204007
1044
-
1.398
120.0414
PYRIDOXAL #2 (M+H)+
Pyridoxal
ME204008
1050
-
1.951
167.0562
SARCOSINE (M+H)+
Sarcosine
ME204018
1088
-
0.721
89.0475
N-ACETYLGLYCINE (M+NA)+
N-Acetylglycine
ME203941
1097
-
0.923
117.0418
SPERMIDINE (M+H)+
Spermidine
ME204028
1102
-
0.525
145.1577
SPERMIDINE (M+NA)+
Spermidine
ME204029
1102
-
0.53
145.1556
SPERMINE (M+H)+
Spermine
ME204030
1103
-
0.527
202.2158
TAURINE (M+NA)+
Taurine
ME204038
1123
-
0.658
125.0138
TRIMETHYLAMINE (M+H)+
Trimethylamine
ME204059
1146
-
0.725
59.0731
URACIL (M+H)+
Uracil
ME204066
1174
-
0.94
112.0276
URIC ACID (M+H)+
Uric acid
ME204068
1175
-
1.017
168.0283
XANTHINE (M+H)+
Xanthine
ME204077
1188
-
1.292
152.0345
3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+[-H2O]
3-Hydroxymethylglutaric acid
ME203705
1662
-
1.687
162.052
3-HYDROXY-3-METHYLGLUTARIC ACID (M+NA)+
3-Hydroxymethylglutaric acid
ME203706
1662
-
1.662
162.0521
HOMOVANILLIC ACID (M+H)+
Homovanillic acid
ME203873
1738
-
5.869
182.0574
HOMOVANILLIC ACID (M+NA)+
Homovanillic acid
ME203874
1738
-
5.886
182.0565
ACETAMINOPHEN (TN TYLENOL) (M+H)+
Acetaminophen
ME203733
1983
-
3.056
151.0634
ACETAMINOPHEN (TN TYLENOL) (M+NA)+
Acetaminophen
ME203734
1983
-
3.003
151.0633
THEOPHYLLINE (M+NA)+
Theophylline
ME204051
2153
-
4.362
180.0646
CAFFEINE (M+H)+
Caffeine
ME203769
2519
-
5.77
194.0807
CAFFEINE (M+NA)+
Caffeine
ME203770
2519
-
5.766
194.0797
CHLORPHENIRAMINE (M+H)+
Chlorphenamine
ME203776
2725
-
8.937
274.1247
DECANOIC ACID (2M+NA)+
Capric acid
ME203803
2969
-
22.792
172.1453
DOXYLAMINE (M+H)+
Doxylamine
ME203820
3162
-
5.976
270.1707
FLUCYTOSINE (M+H)+
Flucytosine
ME203839
3366
-
0.689
129.0322
KYNURENIC ACID (M+H)+
Kynurenic acid
ME203889
3845
-
5.016
189.0421
N-METHYL-ASPARTIC ACID (M+NA)+
N-Methyl-D-aspartic acid
ME203951
4376
-
0.609
147.0509
OMEPRAZOLE (M+H)+
Omeprazole
ME203981
4594
-
11.073
345.1092
PROMETRYN (M+H)+
Prometryn
ME204002
4929
-
15.226
241.1362
PROTOPORPHYRIN (M+H)+
Protoporphyrin
ME204006
4971
-
22.947
562.2629
SEBACIC ACID (M+H)+[-H2O]
Sebacic acid
ME204019
5192
-
12.761
202.1193
SEBACIC ACID (M+NA)+
Sebacic acid
ME204020
5192
-
12.8
202.1232
SEROTONIN (M+H)+
Serotonin
ME204024
5202
-
1.778
176.0951
SEROTONIN (M+NA)+
Serotonin
ME204025
5202
-
1.684
176.0934
SULFADIMETHOXINE (M+H)+
Sulfadimethoxine
ME204036
5323
-
9.431
310.0761
SULFADIMETHOXINE (M+NA)+
Sulfadimethoxine
ME204037
5323
-
9.43
310.076
THEOBROMINE (M+H)+
Theobromine
ME204049
5429
-
3.547
180.0651
THEOBROMINE (M+NA)+
Theobromine
ME204050
5429
-
3.474
180.0629
N-METHYLNICOTINIC ACID (2M+H)+
Trigonelline
ME203954
5570
-
0.638
137.045
XANTHURENIC ACID (M+H)+
Xanthurenic acid
ME204080
5699
-
4.555
205.0382
CORTISOL 21-ACETIC ACID (M+H)+[-H2O]
Cortisol 21-acetate
ME203789
5744
-
15.733
404.2182
CORTISOL 21-ACETIC ACID (M+NA)+
Cortisol 21-acetate
ME203790
5744
-
15.742
404.2217
CORTISOL (M+NA)+
Cortisol
ME203788
5754
-
13.884
362.2119
RIBOSE (M+NA)+
Ribose
ME204015
5779
-
0.69
150.052
THYMIDINE (M+H)+
Thymidine
ME204055
5789
-
2.7
242.089
THYMIDINE (M+NA)+
Thymidine
ME204056
5789
-
2.836
242.0901
GLUCOSE (2M+NA)+
Glucose
ME203844
5793
-
0.66
180.0622
GLUCOSE (M+NA)+
Glucose
ME203845
5793
-
0.681
180.0634
2-AMINOPHENOL (M+H)+
2-Aminophenol
ME203688
5801
-
1.069
109.0524
TRANS-4-HYDROXYPROLINE (M+H)+
trans-4-Hydroxyproline
ME204057
5810
-
0.686
131.0575
EPINEPHRINE (M+H)+
Epinephrine
ME203829
5816
-
0.618
183.0862
EPINEPHRINE (M+H)+[-H2O]
Epinephrine
ME203830
5816
-
0.894
183.0859
ALDOSTERONE (M+NA)+
Aldosterone
ME203746
5839
-
12.789
360.1889
ESTRONE (M+H)+
Estrone
ME203833
5870
-
16.492
270.1609
ANDROSTERONE (M+NA)+
Androsterone
ME203753
5879
-
19.683
290.2301
DEHYDROEPIANDROSTERONE (M+H)+
Dehydroepiandrosterone
ME203806
5881
-
17.268
288.206
NAD (M+H)+
NAD
ME203958
5893
-
1.03
663.1023
NAD (M+NA)+
NAD
ME203959
5893
-
1.019
663.0994
ALANINE (M+H)+
Alanine
ME203745
5950
-
1.097
89.0467
DEOXYCORTICOSTERONE ACETATE (M+NA)+
Deoxycorticosterone acetate
ME203811
5952
-
19.09
372.2239
D-GLUCOSE 6-PHOSPHATE (M+NA)+
Glucose 6-phosphate
ME203802
5958
-
0.676
260.029
ASPARTIC ACID (M+NA)+
Aspartic acid
ME203756
5960
-
0.638
133.0355
GLUTAMINE (M+NA)+
Glutamine
ME203849
5961
-
0.616
146.0676
LYSINE (M+H)+
Lysine
ME203908
5962
-
0.524
146.1057
LYSINE (M+NA)+
Lysine
ME203909
5962
-
0.54
146.1054
SUCROSE (M+NA)+
Sucrose
ME204035
5988
-
0.693
342.112
PROGESTERONE (M+H)+
Progesterone
ME203999
5994
-
19.687
314.2205
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME203777
5997
-
24.702
386.3557
TESTOSTERONE (M+NA)+
Testosterone
ME204047
6013
-
17.419
288.2054
INOSINE (M+H)+
Inosine
ME203880
6021
-
1.879
268.0816
INOSINE (M+NA)+
Inosine
ME203881
6021
-
1.857
268.0813
URIDINE (M+H)+
Uridine
ME204069
6029
-
1.388
244.0705
URIDINE (M+NA)+
Uridine
ME204070
6029
-
1.387
244.0697
URIDINE-5-MONOPHOSPHATE #2 (M+NA)+
UMP
ME204071
6030
-
0.855
324.0315
URIDINE-5-MONOPHOSPHATE (M+H)+
UMP
ME204072
6030
-
0.896
324.0358
URIDINE-5-MONOPHOSPHATE (M+NA)+
UMP
ME204073
6030
-
0.773
324.0315
TYROSINE (M+H)+
Tyrosine
ME204064
6057
-
1.341
181.0748
TYROSINE (M+NA)+
Tyrosine
ME204065
6057
-
1.339
181.074
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME203739
6083
-
0.946
347.0642
N-METHYLTRYPTAMINE (M+NA)+
N-Methyltryptamine
ME203955
6088
-
3.927
174.1139
CMP (M+H)+
CMP
ME203787
6131
-
0.847
323.0538
METHIONINE (M+H)+
Methionine
ME203917
6137
-
0.991
149.0509
PHENYLALANINE (M+H)+
Phenylalanine
ME203989
6140
-
2.465
165.0779
PHENYLALANINE (M+NA)+
Phenylalanine
ME203990
6140
-
2.528
165.0771
11-DEOXYCORTICOSTERONE (M+NA)+
11-Deoxycorticosterone
ME203672
6166
-
17.042
330.2252
CYTIDINE (2M+H)+
Cytidine
ME203798
6175
-
0.692
243.083
17ALPHA-HYDROXYPROGESTERONE (M+H)+
17alpha-Hydroxyprogesterone
ME203677
6238
-
17.647
330.219
MANNITOL (M+H)+[-H2O]
Mannitol
ME203914
6251
-
0.7
182.0794
MANNITOL (M+NA)+
Mannitol
ME203915
6251
-
0.663
182.0764
ORNITHINE (M+H)+
Ornithine
ME203983
6262
-
0.524
132.0897
ASPARAGINE (M+H)+
Asparagine
ME203755
6267
-
0.664
132.0515
L-HISTIDINE (M+H)+
Histidine
ME203895
6274
-
0.559
155.0702
L-HISTIDINE (M+NA)+
Histidine
ME203896
6274
-
0.62
155.0696
VALINE (M+H)+
Valine
ME204075
6287
-
0.89
117.0789
VALINE (M+NA)+
Valine
ME204076
6287
-
0.883
117.0787
THREONINE (M+H)+[-H2O]
Threonine
ME204053
6288
-
0.981
119.0581
TRYPTOPHAN (M+H)+
Tryptophan
ME204060
6305
-
3.685
204.0882
TRYPTOPHAN (M+NA)+
Tryptophan
ME204061
6305
-
3.682
204.0876
ISOLEUCINE (M+H)+
Isoleucine
ME203885
6306
-
1.535
131.0947
ISOLEUCINE (M+NA)+
Isoleucine
ME203886
6306
-
1.54
131.0937
L-ARGININE (M+H)+
Arginine
ME203893
6322
-
0.616
174.1112
L-ARGININE (M+NA)+
Arginine
ME203894
6322
-
0.594
174.1116
QUINIC ACID (M+NA)+
Quinic acid
ME204009
6508
-
0.693
192.0599
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME203985
6613
-
3.374
219.1109
PANTOTHENIC ACID (M+NA)+
Pantothenic acid
ME203986
6613
-
3.383
219.111
TAUROCHOLIC ACID (M+H)+[-H2O]
Taurocholic acid
ME204042
6675
-
18.134
515.2927
TAUROCHOLIC ACID (M+NA)+
Taurocholic acid
ME204043
6675
-
18.118
515.2823
4-PYRIDOXIC ACID (M+H)+
4-Pyridoxic acid
ME203723
6723
-
1.946
183.0516
GUANOSINE (M+H)+
Guanosine
ME203865
6802
-
1.873
283.092
GAMMA-BUTYROLACTONE (M+H)+
gamma-Butyrolactone
ME203841
7302
-
2.124
86.0369
5-OXOPROLINE (M+H)+
Pyroglutamic acid
ME203730
7405
-
1.223
129.0443
1-PHENYLETHANOL (M+H)+[-H2O]
1-Phenylethanol
ME203670
7409
-
2.902
122.0733
BIURET (M+H)+
Biuret
ME203765
7913
-
0.775
103.039
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME203762
8343
-
23.135
390.2781
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME203763
8343
-
23.134
390.2783
CYCLOPENTANONE (2M+K)+
Cyclopentanone
ME203793
8452
-
3.313
84.0575
INOSINE 5'-PHOSPHATE (M+H)+
IMP
ME203882
8582
-
0.987
348.0481
INOSINE 5'-PHOSPHATE (M+NA)+
IMP
ME203883
8582
-
0.984
348.0534
SHIKIMIC ACID (M+H)+[-H2O]
Shikimic acid
ME204026
8742
-
0.934
174.0511
PREGNENOLONE (M+H)+[-H2O]
Pregnenolone
ME203995
8955
-
20.267
316.237
PREGNENOLONE (M+NA)+
Pregnenolone
ME203996
8955
-
20.215
316.2434
SALSOLINOL (M+H)+
Salsolinol
ME204017
9158
-
1.258
179.0918
3-METHOXYTYROSINE (M+H)+
3-Methoxytyrosine
ME203711
9307
-
2.044
211.0833
CITRULLINE (M+H)+
Citrulline
ME203785
9750
-
0.701
175.0955
CITRULLINE (M+NA)+
Citrulline
ME203786
9750
-
0.678
175.0952
LITHOCHOLIC ACID (M+NA)+
Lithocholic acid
ME203907
9903
-
22.322
376.2911
4-METHYLCATECHOL (M+NA)+
4-Methylcatechol
ME203722
9958
-
2.601
124.0547
HOMOCYSTINE (M+H)+
Homocystine
ME203868
10010
-
0.708
268.0527
GLYCOCHOLIC ACID (2M+NA)+
Glycocholic acid
ME203857
10140
-
18.944
465.3108
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+
4-Quinolinecarboxylic acid
ME203724
10243
-
5.066
173.0458
SUBERIC ACID (M+NA)+
Suberic acid
ME204034
10457
-
8.075
174.0906
OCTACOSANOIC ACID (M+H)+
Montanic acid
ME203971
10470
-
23.265
424.4261
17BETA-HYDROXYANDROSTAN-3-ONE (M+NA)+
5alpha-Dihydrotesosterone
ME203678
10635
-
18.496
290.2223
CARNITINE (M+H)+
Carnitine
ME203774
10917
-
0.634
161.1039
5-VALEROLACTONE (M+H)+
5-Valerolactone
ME203731
10953
-
2.277
100.0523
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+
2-Hydroxy-4-(methylthio)butanoic acid
ME203691
11427
-
3.425
150.0321
ETHYLMALONIC ACID (M+NA)+
Ethylmalonic acid
ME203835
11756
-
2.691
132.0419
3-HYDROXYKYNURENINE (M+H)+
Hydroxykynurenine
ME203708
11811
-
1.243
224.0802
3-HYDROXYPHENYLACETATE #2 (M+H)+
3-Hydroxyphenylacetic acid
ME203710
12122
-
8.883
152.0462
HOMOSERINE (M+H)+
Homoserine
ME203871
12647
-
0.682
119.0572
HOMOSERINE (M+NA)+
Homoserine
ME203872
12647
-
0.618
119.0568
N-CYCLOHEXYLFORMAMIDE (M+H)+
N-Cyclohexylformamide
ME203949
13017
-
7.841
127.0994
DEOXYCYTIDINE (M+NA)+
Deoxycytidine
ME203812
13711
-
0.953
227.0912
DEOXYURIDINE (M+NA)+
Deoxyuridine
ME203813
13712
-
1.727
228.0768
DEOXYADENOSINE (M+H)+
Deoxyadenosine
ME203807
13730
-
1.898
251.1025
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (M+NA)+
dCMP
ME203683
13945
-
0.744
307.0508
NICOTINAMIDE MONONUCLEOTIDE (M+H)+
Nicotinamide ribotide
ME203962
14180
-
0.679
334.0592
NICOTINAMIDE MONONUCLEOTIDE (M+NA)+
Nicotinamide ribotide
ME203963
14180
-
0.888
334.053
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME203752
14985
-
24.625
430.3805
4-ACETAMIDOBUTANOIC ACID (M+NA)+
4-Acetamidobutanoic acid
ME203717
18189
-
1.859
145.0744
ACETYLCARNITINE (M+H)+
CAR 2:0
ME203737
18230
-
0.929
203.1153
1-METHYLADENOSINE (M+H)+
1-Methyladenosine
ME203666
27476
-
3.082
281.1132
3-METHYLBUTANOL (M+NA)+
Isopentanol
ME203712
31260
-
8.436
88.0901
GLUTAMIC ACID (M+H)+
Glutamic acid
ME203847
33032
-
0.642
147.0513
GLUTAMIC ACID (M+H)+[-H2O]
Glutamic acid
ME203848
33032
-
0.638
147.0519
ADP-RIBOSE (M+H)+
ADP-ribose
ME203742
33576
-
0.676
559.0792
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]
3-Aminoisobutanoic acid
ME203701
64956
-
1.727
103.0633
XANTHOSINE (M+H)+
Xanthosine
ME204078
64959
-
2.367
284.0771
XANTHOSINE (M+NA)+
Xanthosine
ME204079
64959
-
2.368
284.0775
N(PAI)-METHYL-L-HISTIDINE (M+H)+
3-Methylhistidine
ME203925
64969
-
0.634
169.0872
2'-DEOXYINOSINE (2M+NA)+
Deoxyinosine
ME203684
65058
-
2.138
252.0885
2'-DEOXYINOSINE (M+H)+
Deoxyinosine
ME203685
65058
-
2.142
252.0888
2'-DEOXYINOSINE (M+NA)+
Deoxyinosine
ME203686
65058
-
2.137
252.0901
DUMP (M+H)+
dUMP
ME203821
65063
-
0.966
308.0409
N-ACETYL-ASPARTIC ACID (M+NA)+
N-Acetylaspartic acid
ME203926
65065
-
0.991
175.0493
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]
Cholesterol sulfate
ME203778
65076
-
23.893
466.3113
3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+
3-Amino-4-hydroxybenzoic acid
ME203700
65083
-
1.05
153.0405
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
25-Hydroxycholesterol
ME203698
65094
-
22.796
402.3556
AICAR (M+H)+
AICAR
ME203744
65110
-
0.744
338.0642
3-NITRO-L-TYROSINE (M+H)+
Nitrotyrosine
ME203715
65124
-
2.868
226.0592
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME203932
65249
-
0.906
147.0529
N-ACETYL-DL-SERINE (M+NA)+
N-Acetylserine
ME203933
65249
-
0.849
147.0515
GLUTATHIONE OXIDIZED (M+H)+
Glutathione
ME203852
65359
-
1.401
612.1518
GLUTATHIONE OXIDIZED (M+H2)+2
Glutathione
ME203853
65359
-
1.399
612.1465
2-METHOXYESTRADIOL (M+H)+[-H2O]
2-Methoxyestradiol-17beta
ME203692
66414
-
17.177
302.1869
ESTRADIOL-17ALPHA (M+H)+[-H2O]
Estradiol-17alpha
ME203832
68570
-
16.788
272.1744
3-METHYLHISTAMINE (M+H)+
3-Methylhistamine
ME203713
69520
-
0.509
125.0933
3-METHYLXANTHINE (M+H)+
3-Methylxanthine
ME203714
70639
-
2.216
166.0493
CYSTEIC ACID (M+H)+
Cysteic acid
ME203796
72886
-
0.657
187.0171
GLUCOSAMINIC ACID (M+NA)+
Glucosaminic acid
ME203843
73563
-
0.679
195.0769
N-ACETYL-L-PHENYLALANINE (M+H)+
N-Acetylphenylalanine
ME203940
74839
-
7.605
207.089
N-FORMYLGLYCINE (M+H)+
N-Formylglycine
ME203950
75606
-
0.775
103.0285
N-ACETYL-L-LEUCINE (M+H)+
N-Acetylleucine
ME203938
75619
-
6.998
173.1054
N-ACETYL-L-LEUCINE (M+NA)+
N-Acetylleucine
ME203939
75619
-
7.003
173.1056
OMEGA-HYDROXYDODECANOIC ACID (M+H)+[-H2O]
12-Hydroxy lauric acid
ME203979
79034
-
17.038
216.1718
OMEGA-HYDROXYDODECANOIC ACID (M+NA)+
12-Hydroxy lauric acid
ME203980
79034
-
16.944
216.1738
GLYCEROL MYRISTATE (M+H)+[-H2O]
MG 14:0
ME203854
79050
-
22.154
302.2439
GLYCEROL MYRISTATE (M+NA)+
MG 14:0
ME203855
79050
-
22.158
302.2456
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME203668
80220
-
2.57
166.0483
1-METHYLXANTHINE (M+NA)+
1-Methylxanthine
ME203669
80220
-
2.566
166.0485
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+
-
ME203997
83228
-
0.634
162.1028
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+NA)+
-
ME203998
83228
-
0.619
162.1014
4-ACETAMINOPHEN SULFATE (M+H)+
Paracetamol sulfate
ME203718
83939
-
2.394
231.0209
GALACTURONIC ACID (M+NA)+[-H2O]
Galacturonic acid
ME203840
84740
-
0.725
194.0427
M-HYDROXYMANDELIC ACID (M+H)+[-H2O]
3-Hydroxymandelic acid
ME203910
86957
-
2.088
168.0398
M-HYDROXYMANDELIC ACID (M+NA)+[-H2O]
3-Hydroxymandelic acid
ME203911
86957
-
1.952
168.0439
N-ACETYL-L-ALANINE (M+NA)+
N-Acetylalanine
ME203937
88064
-
1.469
131.0562
L-METHIONINE SULFOXIMINE (M+NA)+
Methionine sulfoximine
ME203899
89034
-
0.646
180.0602
ACETOACETYL-COA (M+H)+
Acetoacetyl-CoA
ME203736
92153
-
21.004
851.1284
ALLOPREGNANOLONE (M+NA)+
3alpha-Hydroxy-5alpha-pregnan-20-one
ME203749
92787
-
20.888
318.2621
N-ALPHA-ACETYL-L-LYSINE (M+H)+
N(2)-Acetyllysine
ME203947
92907
-
0.652
188.1154
RIBITOL (M+NA)+
Ribitol
ME204014
94154
-
0.631
152.0662
METHYL BETA-D-GALACTOSIDE (M+NA)+
Methyl beta-D-galactoside
ME203918
94214
-
0.807
194.0787
GLUCURONIC ACID (M+NA)+
Glucuronic acid
ME203846
94715
-
0.672
194.0407
L-ALLOTHREONINE (M+H)+[-H2O]
Allothreonine
ME203892
99289
-
0.615
119.0579
SELENOMETHIONINE (M+H)+
Selenomethionine
ME204022
105024
-
1.287
196.996
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME204003
107738
-
1.655
217.1313
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+
Anserine
ME203757
112072
-
0.679
240.121
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+
Anserine
ME203758
112072
-
0.716
240.1257
SELENOCYSTAMINE (M+H)+
Selenocystamine
ME204021
115119
-
0.518
247.9334
EPIBRASSINOLIDE [ISTD] (M+H)+
24-epi-Brassinolide
ME203827
115196
-
20.031
480.3466
EPIBRASSINOLIDE [ISTD] (M+NA)+
24-epi-Brassinolide
ME203828
115196
-
20.032
480.3464
GLYCOLITHOCHOLIC ACID (M+H)+[-H2O]
Glycolithocholic acid
ME203858
115245
-
21.638
433.3157
GLYCOLITHOCHOLIC ACID (M+NA)+
Glycolithocholic acid
ME203859
115245
-
21.608
433.3243
GLYCOLITHOCHOLIC ACID (M+NA)+[-H2O]
Glycolithocholic acid
ME203860
115245
-
21.572
433.3177
ALPHA-D-GALACTOSE 1-PHOSPHATE (M+NA)+
Galactose 1-phosphate
ME203750
123912
-
0.577
260.029
AHBA (M+H)+
3-Amino-5-hydroxybenzoic acid
ME203743
127115
-
1.149
153.0412
PROLINE (M+H)+
Proline
ME204000
145742
-
0.723
115.0623
PROLINE (M+NA)+
Proline
ME204001
145742
-
0.628
115.0612
NAPROXEN (M+H)+
Naproxen
ME203960
156391
-
15.587
230.0898
NICOTINE (M+H)+
Nicotine
ME203964
157672
-
1.185
162.1131
ABRINE (M+H)+
N(alpha)-Methyl-tryptophan
ME203732
160511
-
3.722
218.1014
KYNURENINE (M+H)+
Kynurenine
ME203890
161166
-
2.239
208.0847
KYNURENINE (M+NA)+
Kynurenine
ME203891
161166
-
2.229
208.0847
L-HISTIDINOL (M+H)+
L-Histidinol
ME203897
165271
-
0.507
141.0903
L-HISTIDINOL (M+NA)+
L-Histidinol
ME203898
165271
-
0.648
141.0915
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME203884
168379
-
2.846
231.147
LAUROYLCARNITINE (M+H)+
CAR 12:0
ME203903
168381
-
17.829
343.2724
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME203887
169235
-
4.589
245.1629
CHOLIC ACID (M+NA)+
Cholic acid
ME203779
221493
-
20.421
408.2832
DEOXYCHOLIC ACID (M+H)+
Deoxycholic acid
ME203808
222528
-
21.483
392.292
DEOXYCHOLIC ACID (M+H)+[-H2O]
Deoxycholic acid
ME203809
222528
-
21.623
392.2922
DEOXYCHOLIC ACID (M+NA)+
Deoxycholic acid
ME203810
222528
-
21.5
392.2938
MALIC ACID (M+NA)+
Malic acid
ME203913
222656
-
0.79
134.0212
LANOSTEROL (M+NA)+
Lanosterol
ME203902
246983
-
23.715
426.378
TAUROCHENODEOXYCHOLIC ACID (M+H)+
Taurochenodeoxycholic acid
ME204039
387316
-
20.113
499.3042
TAUROCHENODEOXYCHOLIC ACID (M+H)+[-H2O]
Taurochenodeoxycholic acid
ME204040
387316
-
20.173
499.301
TAUROCHENODEOXYCHOLIC ACID (M+NA)+
Taurochenodeoxycholic acid
ME204041
387316
-
20.146
499.2977
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
S-Adenosylhomocysteine
ME204016
439155
-
1.501
384.1216
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME203725
439176
-
4.569
297.0902
CARNOSINE (M+H)+
Carnosine
ME203775
439224
-
0.624
226.1075
MEVALONIC ACID (M+NA)+
Mevalonic acid
ME203922
439230
-
1.505
148.0736
RAFFINOSE (M+K)+
Raffinose
ME204010
439242
-
0.693
504.1615
RAFFINOSE (M+NA)+
Raffinose
ME204011
439242
-
0.683
504.1632
CYSTATHIONINE (M+H)+
Cystathionine
ME203794
439258
-
0.649
222.0654
CYSTATHIONINE (M+NA)+
Cystathionine
ME203795
439258
-
0.667
222.0646
2-DEOXY-D-GLUCOSE (M+NA)+
2-Deoxy-glucose
ME203689
439268
-
0.711
164.0673
5-HYDROXYTRYPTOPHAN (2M+H)+
5-Hydroxy-tryptophan
ME203728
439280
-
1.812
220.0858
5-HYDROXYTRYPTOPHAN (M+H)+
5-Hydroxy-tryptophan
ME203729
439280
-
1.826
220.0814
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME204027
439285
-
0.665
257.1019
TRYPTOPHANAMIDE (M+H)+
Tryptophanamide
ME204062
439356
-
2.728
203.1066
TRYPTOPHANAMIDE (M+NA)+
Tryptophanamide
ME204063
439356
-
2.68
203.1069
N-METHYL-GLUTAMIC ACID (M+H)+[-H2O]
N-Methyl-glutamic acid
ME203952
439377
-
1.848
161.0692
N-METHYL-GLUTAMIC ACID (M+NA)+[-H2O]
N-Methyl-glutamic acid
ME203953
439377
-
1.862
161.0697
O-SUCCINYL-L-HOMOSERINE (M+H)+
o-Succinylhomoserine
ME203970
439406
-
0.838
219.0781
STACHYOSE (M+NA)+
Stachyose
ME204032
439531
-
0.683
666.2139
DESMOSTEROL (M+H)+[-H2O]
Desmosterol
ME203815
439577
-
24.264
384.3397
ALLANTOIN (M+H)+
Allantoin
ME203747
439714
-
0.643
158.0457
ALLANTOIN (M+NA)+
Allantoin
ME203748
439714
-
0.665
158.0447
TAUROLITHOCHOLIC ACID (M+H)+
Taurolithocholic acid
ME204044
439763
-
21.789
483.3113
TAUROLITHOCHOLIC ACID (M+H)+[-H2O]
Taurolithocholic acid
ME204045
439763
-
21.768
483.3055
TAUROLITHOCHOLIC ACID (M+NA)+
Taurolithocholic acid
ME204046
439763
-
21.732
483.3091
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]
3-Dehydroshikimate
ME203702
439774
-
0.936
172.0389
3-DEHYDROSHIKIMIC ACID (M+NA)+
3-Dehydroshikimate
ME203703
439774
-
0.835
172.0404
N-ACETYL-D-TRYPTOPHAN (M+H)+
N-Acetyl-D-tryptophan
ME203928
439917
-
7.886
246.1013
N-AMIDINO-ASPARTIC ACID (M+H)+
Guanidinosuccinic acid
ME203948
439918
-
0.675
175.0621
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+
Hydroxyphenyllactic acid
ME203699
440177
-
3.917
182.0572
MIMOSINE (M+H)+
Mimosine
ME203923
440473
-
0.648
198.0616
EPIANDROSTERONE (M+H)+[-H2O]
Epiandrosterone
ME203826
441302
-
18.28
290.2237
TRANS-ACONITIC ACID (M+NA)+
trans-Aconitic acid
ME204058
444212
-
1.22
174.0175
MALEIC ACID (M+H)+
Maleic acid
ME203912
444266
-
0.91
116.0115
DEPHOSPHO-COA (M+H)+
3'-Dephospho-CoA
ME203814
444485
-
3.675
687.1623
RETINOIC ACID (M+H)+
Retinoic acid
ME204012
444795
-
20.506
300.2085
RETINOIC ACID (M+NA)+
Retinoic acid
ME204013
444795
-
20.546
300.2093
N-ACETYLNEURAMINIC ACID (M+H)+
N-Acetylneuraminic acid
ME203942
444885
-
0.738
309.1042
N-ACETYLNEURAMINIC ACID (M+NA)+
N-Acetylneuraminic acid
ME203943
444885
-
0.677
309.1113
OLEIC ACID (M+H)+
Oleic acid
ME203974
445639
-
22.562
282.255
OLEIC ACID (M+NA)+
Oleic acid
ME203975
445639
-
22.568
282.2538
FERULATE #2 (M+H)+
trans-Ferulic acid
ME203836
445858
-
8.079
194.0588
FERULATE #2 (M+H)+[-H2O]
trans-Ferulic acid
ME203837
445858
-
8.081
194.0588
N-ACETYL-D-GLUCOSAMINE (M+H)+[-H2O]
N-Acetyl-D-glucosamine
ME203927
446101
-
0.681
221.0904
N-ACETYL-DL-METHIONINE (M+H)+
N-Acetylmethionine
ME203929
448580
-
4.165
191.0616
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]
N-Acetylmethionine
ME203930
448580
-
4.169
191.0611
N-ACETYL-DL-METHIONINE (M+NA)+
N-Acetylmethionine
ME203931
448580
-
4.171
191.0619
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME204081
449093
-
3.956
219.1126
16:0 LYSO PC (M+H)+
LPC 16:0
ME203673
460602
-
22.294
495.3336
16:0 LYSO PC (M+NA)+
LPC 16:0
ME203674
460602
-
22.28
495.3338
ELAIDIC ACID (M+H)+
Elaidic acid
ME203824
637517
-
22.965
282.2568
ELAIDIC ACID (M+NA)+
Elaidic acid
ME203825
637517
-
22.96
282.2537
2-METHYLMALEIC ACID #2 (M+H)+
Citraconic acid
ME203693
643798
-
2.448
130.0272
FLAVIN ADENINE DINUCLEOTIDE (M+H)+
FAD
ME203838
643975
-
6.297
785.1543
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]
DG 16:0_16:0
ME203817
644078
-
26.153
568.5082
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]
Vanylglycol
ME203719
688030
-
2.378
184.0746
UROCANIC ACID (M+H)+
Urocanic acid
ME204074
736715
-
0.939
138.0429
2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+
2-Hydroxy-3-methylbutyric acid
ME203690
853180
-
3.552
118.0634
DIHYDROOROTIC ACID (M+H)+
Dihydroorotic acid
ME203816
1149667
-
0.665
158.0318
CAFFEIC ACID (M+H)+
Caffeic acid
ME203767
1549111
-
5.199
180.0452
CAFFEIC ACID (M+H)+[-H2O]
Caffeic acid
ME203768
1549111
-
5.195
180.0439
D-GALACTOSAMINE (M+H)+
Galactosamine
ME203799
3034366
-
0.693
179.0788
D-GALACTOSAMINE (M+H)+[-H2O]
Galactosamine
ME203800
3034366
-
0.673
179.0829
D-GALACTOSAMINE (M+K)+
Galactosamine
ME203801
3034366
-
0.668
179.0816
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME203867
3246939
-
7.153
260.1865
THIAMIN MONOPHOSPHATE (M+H)+
Thiamine monophosphate
ME204052
3382778
-
0.678
344.0691
MYRISTOYLCARNITINE (*) (M+H)+
CAR 14:0
ME203924
3413344
-
19.556
371.3027
BILIVERDIN (M+H)+
Biliverdin
ME203759
5280353
-
18.566
582.249
BILIVERDIN (M+NA)+
Biliverdin
ME203760
5280353
-
18.689
582.2506
PROSTAGLANDIN E2 (M+H)+[-H2O]
PGE2
ME204004
5280360
-
16.785
352.2235
PROSTAGLANDIN E2 (M+NA)+
PGE2
ME204005
5280360
-
16.858
352.2243
SQUALENE (M+K)+
Squalene
ME204031
5280370
-
24.841
410.3981
LEUKOTRIENE B4 (M+H)+
LTB4
ME203904
5280492
-
20.661
336.2279
LEUKOTRIENE B4 (M+H)+[-H2O]
LTB4
ME203905
5280492
-
20.683
336.2307
LEUKOTRIENE B4 (M+NA)+
LTB4
ME203906
5280492
-
20.693
336.2323
GAMMA-LINOLENIC ACID (M+NA)+
gamma-Linolenic acid
ME203842
5280933
-
22.881
278.2236
ERUCIC ACID (M+NA)+
cis-Erucic acid
ME203831
5281116
-
23.542
338.3118
METHYL JASMONATE (M+H)+
Methyl jasmonate
ME203919
5281929
-
16.043
224.1417
METHYL JASMONATE (M+NA)+
Methyl jasmonate
ME203920
5281929
-
15.952
224.1418
THROMBOXANE B2 (M+NA)+
TXB2
ME204054
5283137
-
16.757
370.2352
OLEAMIDE (M+H)+
Oleamide
ME203972
5283387
-
22.652
281.271
OLEAMIDE (M+NA)+
Oleamide
ME203973
5283387
-
22.652
281.2707
CALCIDIOL (M+H)+
25-Hydroxyvitamin D3
ME203771
5283731
-
22.495
400.3297
CALCIDIOL (M+H)+[-H2O]
25-Hydroxyvitamin D3
ME203772
5283731
-
22.619
400.3284
CALCIDIOL (M+NA)+
25-Hydroxyvitamin D3
ME203773
5283731
-
22.523
400.3338
OLEOYL-GLYCEROL (M+H)+
MG 18:1
ME203976
5319879
-
22.749
356.2926
OLEOYL-GLYCEROL (M+H)+[-H2O]
MG 18:1
ME203977
5319879
-
22.748
356.2898
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME203978
5319879
-
22.744
356.2936
3-HYDROXYMORPHINAN (M+H)+
-
ME203709
5463854
-
7.311
243.1579
N-OLEOYLGLYCINE (M+H)+
N-Oleoyl glycine
ME203956
6436908
-
22.557
339.2746
N-OLEOYLGLYCINE (M+NA)+
N-Oleoyl glycine
ME203957
6436908
-
22.576
339.2779
CYSTINE (M+NA)+
Cystine
ME203797
6857538
-
0.677
240.0203
URACIL 5-CARBOXYLIC ACID (M+H)+
Uracil-5-carboxylic acid
ME204067
6971263
-
1.074
156.0171
10-HYDROXYDECANOIC ACID (M+NA)+
10-Hydroxydecanoic acid
ME203671
6991989
-
13.523
188.1437
OPHTHALMIC ACID (M+H)+
Ophthalmic acid
ME203982
7018721
-
1.246
289.1264
18:0 LYSO-PE (2M+H)+
LPE 18:0
ME203679
9547068
-
22.617
481.3109
18:0 LYSO-PE (2M+NA)+
LPE 18:0
ME203680
9547068
-
22.735
481.3085
18:0 LYSO-PE (M+H)+
LPE 18:0
ME203681
9547068
-
22.716
481.3174
18:0 LYSO-PE (M+NA)+
LPE 18:0
ME203682
9547068
-
22.72
481.3218
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]
-
ME203877
10444113
-
13.009
236.1039
IBUPROFEN CARBOXYLIC ACID (M+NA)+
-
ME203878
10444113
-
13.037
236.1036
DECANOYLCARNITINE (*) (M+H)+
CAR 10:0
ME203804
11953821
-
15.107
315.2389
BIOTIN (M+H)+[-H2O]
Biotin
ME203761
11966127
-
6.21
244.0928
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME203900
16217285
-
3.686
206.0848
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME203675
18631368
-
25.538
761.5945
16:0-18:0 PC (M+NA)+
PC 16:0_18:0
ME203676
18631368
-
25.524
761.6042
TETRADECENOYLCARNITINE (*) M+
CAR 14:1
ME204048
22833575
-
18.938
370.2905
20:0 LYSO PC (M+H)+
LPC 20:0
ME203694
24779473
-
22.984
551.3966
20:0 LYSO PC (M+NA)+
LPC 20:0
ME203695
24779473
-
22.98
551.397
24:0 SM (D18:1/24:0) (M+H)+
SM 18:1;O2/24:0
ME203696
44260127
-
27.928
814.6952
24:0 SM (D18:1/24:0) (M+NA)+
SM 18:1;O2/24:0
ME203697
44260127
-
27.957
814.6939
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+
-
ME203766
46891735
-
23.235
643.4949
STEAROYLCARNITINE (*) (M+H)+
CAR 18:0
ME204033
52922056
-
21.657
427.3585
EICOSANOYLCARNITINE (*) (M+H)+
CAR 20:0
ME203822
53477833
-
22.163
455.3941
GLUTARYLCARNITINE (*) (M+H)+
CAR DC5:0
ME203851
53481622
-
1.896
275.1352
DODECENOYLCARNITINE (*) II M+
CAR 12:1
ME203818
53481671
-
16.743
342.2632
DODECENOYLCARNITINE (*) M+
CAR 12:1
ME203819
53481671
-
16.271
342.2591
DECENOYLCARNITINE (*) (M+H)+
CAR 10:1
ME203805
57357170
-
13.766
313.2251
EICOSENOYLCARNITINE (*) (M+H)+
CAR 20:1
ME203823
71464507
-
21.964
453.3743
BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+
Bis-gamma-glutamylcystine
ME203764
90657696
-
1.075
498.1053
ARACHIDONYLCARNITINE (*) M+
CAR 20:4
ME203754
101431140
-
23.506
504.4133
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