Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST001144 main page
Analysis: Reversed phase LC-MS Positive
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
acetylcarnitine
CAR 2:0
ME273451
1
C02571
1166.9
-
3-ureidopropionate
Ureidopropionic acid
ME273439
111
C02642
1090.6
-
deoxycarnitine
3-Dehydroxycarnitine
ME273476
134
C01181
742.4
-
adenine
Adenine
ME273453
190
C00147
1002
-
adipate
Adipic acid
ME273456
196
C06104
2460.4
-
anthranilate
2-Aminobenzoic acid
ME273458
227
C00108
3220
-
arginine
Arginine
ME273459
232
C00062
700
-
betaine
Betaine
ME273461
247
C00719
734
-
choline
Choline
ME273466
305
C00114
675
-
palmitoylcarnitine
CAR 16:0
ME273565
461
C02990
5204
-
2-aminoadipate
alpha-Aminoadipic acid
ME273424
469
C00956
793.3
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME273441
500
C01035
1150
-
N-methylproline
N-Methyl-proline
ME273549
557
-
831
-
creatine
Creatine
ME273470
586
C00300
771
-
creatinine
Creatinine
ME273471
588
C00791
730.8
-
glutamate
Glutamic acid
ME273495
611
C00025
710
-
5,6-dihydrouracil
Dihydrouracil
ME273445
649
C00429
1148
-
dimethylglycine
Dimethylglycine
ME273480
673
C01026
719.4
-
guanine
Guanine
ME273505
764
C00242
1035
-
indoleacetate
Indoleacetic acid
ME273514
802
C00954
3766.3
-
pipecolate
Pipecolic acid
ME273571
849
C00408
1120
-
nicotinamide
Niacinamide
ME273559
936
C00153
1271.1
-
picolinate
Picolinic acid
ME273570
1018
C10164
1117
-
pyridoxal
Pyridoxal
ME273576
1050
C00250
1203
-
spermidine
Spermidine
ME273583
1102
C00315
533.5
-
spermine
Spermine
ME273584
1103
C00750
500.4
-
uracil
Uracil
ME273597
1174
C00106
1152.2
-
urea
Urea
ME273598
1176
C00086
739
-
3-methoxytyrosine
3-Methoxytyrosine
ME273436
1670
-
1771
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME273446
1826
C05635
2559.9
-
dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME273477
1879
C00268
1515
-
indolepropionate
3-Indolepropionic acid
ME273516
3744
-
4147.9
-
serotonin
Serotonin
ME273582
5202
C00780
1654
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME273537
5255
C12270
1575.4
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME273594
5570
C01004
771.8
-
xanthurenate
Xanthurenic acid
ME273602
5699
C02470
2655.6
-
corticosterone
Corticosterone
ME273469
5753
C02140
4851.2
-
thymidine
Thymidine
ME273589
5789
C00214
1979.5
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME273592
5810
C01157
685
-
alanine
Alanine
ME273457
5950
C00041
696
-
serine
Serine
ME273581
5951
C00065
676.7
-
glutamine
Glutamine
ME273496
5961
C00064
680
-
lysine
Lysine
ME273527
5962
C00047
613.8
-
tyrosine
Tyrosine
ME273596
6057
C00082
1516.3
-
adenosine 5'-monophosphate (AMP)
AMP
ME273455
6083
C00020
1208
-
leucine
Leucine
ME273525
6106
C00123
1680.2
-
cytidine 5'-monophosphate (5'-CMP)
CMP
ME273474
6131
C00055
890
-
methionine
Methionine
ME273528
6137
C00073
1250
-
phenylalanine
Phenylalanine
ME273567
6140
C00079
2050
-
cytidine
Cytidine
ME273473
6175
C00475
1075.9
-
dimethyl sulfone
Dimethyl sulfone
ME273478
6213
C11142
1035
-
ornithine
Ornithine
ME273564
6262
C00077
614
-
valine
Valine
ME273600
6287
C00183
1042.1
-
threonine
Threonine
ME273588
6288
C00188
701.5
-
tryptophan
Tryptophan
ME273595
6305
C00078
2440
-
isoleucine
Isoleucine
ME273520
6306
C00407
1599
-
guanosine 5'- monophosphate (5'-GMP)
GMP
ME273506
6804
C00144
1300
-
citrulline
Citrulline
ME273468
9750
C00327
730.3
-
4-hydroxybutyrate (GHB)
4-Hydroxybutyric acid
ME273442
10413
C00989
1480
-
carnitine
Carnitine
ME273465
10917
C00318
688.9
-
7-methylguanine
7-Methylguanine
ME273450
11361
C02242
1395.6
-
2-piperidinone
2-Piperidinone
ME273434
12665
-
2047
-
2'-deoxycytidine
Deoxycytidine
ME273423
13711
C00881
1252.2
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME273440
18189
C02946
1721.3
-
S-methylcysteine
Methylcysteine
ME273579
24417
-
848
-
heme
Heme
ME273507
26945
C00032
5003
-
N1-methyladenosine
1-Methyladenosine
ME273551
27476
C02494
1399
-
adenosine
Adenosine
ME273454
60961
C00212
1625.3
-
xanthosine
Xanthosine
ME273601
64959
C01762
1827
-
homocitrulline
Homocitrulline
ME273509
65072
C02427
821.7
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME273483
65254
-
760
-
glutathione, oxidized (GSSG)
Oxidized glutathione
ME273498
65359
C00127
1512
-
N-acetylarginine
N-Acetylarginine
ME273539
67427
C02562
1116
-
phenylacetylglycine
Phenylacetylglycine
ME273566
68144
C05598
3090
-
2-aminooctanoate
2-Aminocaprylic acid
ME273427
69522
-
3355
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME273550
69698
C05842
1688
-
imidazole propionate
Imidazole propanoate
ME273513
70630
-
1020
-
N-acetylglutamate
N-Acetylglutamic acid
ME273542
70914
C00624
1492
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME273499
71920
C00670
709.9
-
methyl indole-3-acetate
Indole-3-methyl acetate
ME273531
74706
-
4350
-
N-acetylhistidine
N-Acetylhistidine
ME273544
75619
C02997
848
-
1-methylimidazoleacetate
Methylimidazoleacetic acid
ME273416
75810
C05828
833
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME273538
76406
C01073
1471
-
1-(3-aminopropyl)-2-pyrrolidone
-
ME273412
82111
-
1350
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME273420
86554
-
5670
-
glycylisoleucine
Gly-Ile
ME273501
88079
-
2080
-
N6-acetyllysine
N6-Acetyllysine
ME273556
92832
C02727
1140
-
glycylleucine
Gly-Leu
ME273502
92843
C02155
2190.9
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME273485
92865
C05282
1045
-
indolelactate
Indolelactic acid
ME273515
92904
C02043
3514
-
N2-acetyllysine
N(2)-Acetyllysine
ME273554
92907
C12989
836
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME273553
92919
-
2168
-
5,6-dihydrothymine
Dihydrothymine
ME273444
93556
C00906
1654.2
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME273493
94340
-
2080.4
-
4-imidazoleacetate
Imidazoleacetic acid
ME273443
96215
C02835
757
-
N1-methylguanosine
1-Methylguanosine
ME273552
96373
-
1869
-
glycylvaline
Gly-Val
ME273503
97417
-
1561.6
-
guanidinosuccinate
Guanidinosuccinic acid
ME273504
97856
C03139
742.9
-
N-acetylasparagine
N-Acetylasparagine
ME273540
99715
-
961.6
-
N4-acetylcytidine
N4-Acetylcytidine
ME273555
107461
-
2040
-
propionylcarnitine
CAR 3:0
ME273575
107738
C03017
1590
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME273490
111299
-
2865
-
stachydrine
Stachydrine
ME273585
115244
C10172
838.7
-
N-acetylputrescine
N-Acetylputrescine
ME273546
122356
C02714
840
-
octanoylcarnitine
CAR 8:0
ME273561
123701
C02838
4090
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME273479
123831
C03626
810
-
ectoine
Ectoine
ME273481
126041
C06231
823
-
3-methylglutarylcarnitine (1)
CAR DC5:0;3Me
ME273438
128145
-
1870
-
acisoga
Acisoga
ME273452
129397
-
2290
-
pyroglutamine*
Pyroglutamine
ME273577
134508
-
750
-
proline
Proline
ME273573
145742
C00148
805
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME273486
150914
C05283
817.9
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME273488
151023
-
2757.2
-
phenylpropionylglycine
Phenylpropionylglycine
ME273569
152323
-
3625
-
methionine sulfoxide
Methionine sulfoxide
ME273529
158980
C02989
741.1
-
kynurenine
Kynurenine
ME273523
161166
C00328
1902.1
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME273560
161234
C05841
1085
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME273557
161466
-
2673
-
isobutyrylcarnitine
CAR 3:0;2Me
ME273518
168379
-
1955.1
-
3-methylcrotonylglycine
3-Methylcrotonylglycine
ME273437
169485
-
2573.6
-
N-acetylglutamine
N-Acetylglutamine
ME273543
182230
C02716
1193
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME273536
193270
-
917
-
2-methylbutyrylglycine
2-Methylbutyrylglycine
ME273429
193872
-
2582.2
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME273426
227939
-
2530
-
indolin-2-one
Indolin-2-one
ME273517
321710
C12312
3386
-
isoleucylglycine
Ile-Gly
ME273521
342532
-
1740
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME273448
439176
C00170
2444.9
-
2-aminobutyrate
2-Aminobutyric acid
ME273425
439691
C02261
766.7
-
butyrylcarnitine
CAR 4:0
ME273463
439829
C02862
1977
-
5-methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME273447
440055
C03592
1481
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME273484
440103
-
1116
-
N-6-trimethyllysine
N-6-Trimethyllysine
ME273534
440120
C03793
690
-
imidazole lactate
Imidazolelactic acid
ME273512
440129
C05568
782.7
-
homostachydrine*
(S)-Homostachydrine
ME273510
441447
C08283
1211
-
biopterin
Biopterin
ME273462
445040
C06313
1562.7
-
riboflavin (Vitamin B2)
Riboflavin
ME273578
493570
C00255
3098.3
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME273421
497299
-
5847
-
trans-urocanate
Urocanic acid
ME273593
736715
C00785
1125.4
-
6-oxopiperidine-2-carboxylic acid
6-oxopiperidine-2-carboxylic acid
ME273449
3014237
-
1826.6
-
ergothioneine
Ergothioneine
ME273482
3032311
C05570
823
-
2-oxindole-3-acetate
2-Oxindole-3-acetate
ME273431
3080590
-
3208
-
S-methylglutathione
S-Methylglutathione
ME273580
3605667
C11347
1600
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME273492
3989307
-
3035
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME273472
4247235
-
824
-
daidzein
Daidzein
ME273475
5281708
C10208
4179
-
glycitein
Glycitein
ME273500
5317750
C14536
4248
-
isovalerylcarnitine
CAR 4:0;3Me
ME273522
6426851
-
2504.9
-
hexanoylcarnitine
CAR 6:0
ME273508
6426853
-
3194
-
stearoylcarnitine
CAR 18:0
ME273586
6426855
-
5256
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME273428
6426901
-
2465
-
valerylcarnitine
CAR 5:0
ME273599
6426903
-
2555
-
oleoylcarnitine
CAR 18:1
ME273562
6441392
-
5215
-
tigloylglycine
Tiglylglycine
ME273590
6441567
-
2518
-
linoleoylcarnitine*
CAR 18:2
ME273526
6450015
-
5190
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME273489
7009567
-
2016.5
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME273494
7015683
-
2045
-
ophthalmate
Ophthalmic acid
ME273563
7018721
-
1462
-
prolylglycine
Pro-Gly
ME273574
7408076
-
875
-
N-acetylcarnosine
N-Acetylcarnosine
ME273541
9903482
-
1166
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME273547
9920500
-
887
-
1-methylnicotinamide
1-Methyl nicotinamide
ME273417
10129985
C02918
691.3
-
2-stearoyl-GPC (18:0)*
LPC 18:0
ME273435
10208382
-
5777
-
laurylcarnitine
CAR 12:0
ME273524
10427569
-
5070
-
isobutyrylglycine
Isobutyrylglycine
ME273519
10855600
-
2009
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME273464
10981970
-
1907
-
pro-hydroxy-pro
Pro-hydroxyPro
ME273572
11673055
-
950
-
N-methylpipecolate
N-methyl pipecolic acid
ME273548
11862129
-
1129
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME273415
11988421
C04100
5575.9
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME273487
14253342
-
2661
-
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME273433
15061532
-
5610
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME273418
16081932
-
5700
-
tiglyl carnitine
CAR 4:1;2Me
ME273591
22833596
-
2354
-
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME273419
24779461
-
5525
-
myristoylcarnitine
CAR 14:0
ME273533
53477791
-
5142.1
-
hydroxybutyrylcarnitine*
CAR 4:0;OH
ME273511
53481617
-
1477
-
2-methylmalonyl carnitine
CAR DC3:0;2Me
ME273430
53481628
-
1552.7
-
glutarylcarnitine (C5)
CAR 5:0
ME273497
71464488
-
1583.3
-
11-dehydrocorticosterone
11-Dehydrocorticosterone
ME273422
-
-
4533.8
-
1-arachidonoyl-GPC (20:4)*
LPC 20:4/0:0
ME273413
-
C05208
5552
-
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME273414
-
-
5506
-
2-palmitoleoyl-GPC (16:1)*
LPC 0:0/16:1
ME273432
-
-
5490
-
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME273460
-
-
1701
-
cis-4-decenoyl carnitine
CAR 10:1
ME273467
-
-
4468
-
gamma-glutamylthreonine*
gamma-Glutamylthreonine
ME273491
-
-
996.6
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME273530
-
-
1090
-
myristoleoylcarnitine*
CAR 14:1
ME273532
-
-
5120
-
N6-succinyladenosine
Succinyladenosine
ME273558
-
-
2222
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME273535
-
-
987
-
N-acetylkynurenine (2)
N-Acetylkynurenine
ME273545
-
-
3114
-
phenylcarnitine*
-
ME273568
-
-
2629.9
-
succinylcarnitine
CAR DC4:0
ME273587
-
-
1419
-
Analysis: Reversed phase LC-MS Negative
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME273833
45
C02287
610
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME273676
47
C00671
2064.2
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME273675
49
C00141
1465
-
4-methyl-2-oxopentanoate
Ketoleucine
ME273687
70
C00233
2170
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME273662
91
C11457
1980
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME273678
107
C05629
2860
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME273685
127
C00642
1361.1
-
5-methyltetrahydrofolate (5MeTHF)
5-Methyl-THF
ME273694
146
C00440
1820
-
benzoate
Benzoic acid
ME273709
243
C00180
1750
-
citrate
Citric acid
ME273725
311
C00158
582
-
salicylate
Salicylic acid
ME273825
338
C00805
2195
-
caprylate (8:0)
Caprylic acid
ME273718
379
C06423
4362
-
hippurate
Hippuric acid
ME273757
464
C01586
2106.9
-
glycerol
Glycerol
ME273750
753
C00116
758
-
hypoxanthine
Hypoxanthine
ME273762
790
C00262
1291.2
-
3-(2-hydroxyphenyl)propionate
3-(2-Hydroxyphenyl)propanoic acid
ME273661
873
C01198
2530
-
oxalate (ethanedioate)
Oxalic acid
ME273801
971
C00209
603
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME273686
979
C01179
1690.1
-
palmitate (16:0)
Palmitic acid
ME273804
985
C00249
5618
-
phenylpyruvate
Phenylpyruvic acid
ME273813
997
C00166
2517.6
-
phenylacetate
Phenyl acetate
ME273811
999
C07086
2110.8
-
phosphoenolpyruvate (PEP)
Phosphoenolpyruvic acid
ME273815
1005
C00074
587.3
-
phosphoethanolamine
Phosphoethanolamine
ME273816
1015
C00346
638
-
pyruvate
Pyruvic acid
ME273821
1060
C00022
732.4
-
phosphate
Phosphoric acid
ME273814
1061
C00009
608
-
succinate
Succinic acid
ME273831
1110
C00042
603
-
sulfate*
Sulfate
ME273832
1118
C00059
616
-
thymine
Thymine
ME273842
1135
C00178
1654
-
urate
Uric acid
ME273846
1175
C00366
757.1
-
xanthine
Xanthine
ME273851
1188
C00385
908.9
-
5-hydroxydecanoate
5-Hydroxycapric acid
ME273691
1825
-
4080
-
azelate (nonanedioate)
Azelaic acid
ME273708
2266
C08261
1276
-
caprate (10:0)
Capric acid
ME273716
2969
C01571
5090.7
-
gentisate
Gentisic acid
ME273749
3469
C00628
1459.8
-
kynurenate
Kynurenic acid
ME273768
3845
C01717
2224
-
phenyllactate (PLA)
Phenyllactic acid
ME273812
3848
C05607
2208
-
laurate (12:0)
Lauric acid
ME273769
3893
C02679
5300
-
palmitoyl ethanolamide
Palmitoyl-EA
ME273806
4671
C16512
6760
-
sebacate (decanedioate)
Sebacic acid
ME273826
5192
C08277
1788
-
stearate (18:0)
Stearic acid
ME273828
5281
C01530
5872
-
thyroxine
Thyroxine
ME273843
5819
C01829
4808
-
inosine
Inosine
ME273765
6021
C00294
1602.1
-
uridine
Uridine
ME273847
6029
C00299
1457.6
-
histidine
Histidine
ME273758
6274
C00135
755.9
-
pantothenate
Pantothenic acid
ME273807
6613
C00864
1498.7
-
taurocholate
Taurocholic acid
ME273836
6675
C05122
5150
-
pyridoxate
4-Pyridoxic acid
ME273819
6723
C00847
2185
-
guanosine
Guanosine
ME273752
6802
C00387
1662
-
5-oxoproline
Pyroglutamic acid
ME273696
7405
C01879
738.5
-
valerate
Valeric acid
ME273849
7991
C00803
1718
-
heptanoate (7:0)
Heptylic acid
ME273753
8094
C17714
3670
-
pelargonate (9:0)
Pelargonic acid
ME273808
8158
C01601
4798
-
undecanoate (11:0)
Undecylic acid
ME273845
8180
C17715
5219.2
-
caproate (6:0)
Caproic acid
ME273717
8892
C01585
2713.7
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME273663
9378
C03672
1379
-
chenodeoxycholate
Chenodeoxycholic acid
ME273721
10133
C02528
5264
-
glycocholate
Glycocholic acid
ME273751
10140
C01921
5163
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME273652
10253
C07588
2184
-
3-indoxyl sulfate
Indoxyl sulfate
ME273672
10258
-
2222.2
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME273664
10394
C01744
1670
-
isovalerate
Isovaleric acid
ME273766
10430
C08262
1564
-
suberate (octanedioate)
Suberic acid
ME273830
10457
C08278
804.3
-
1,11-undecanedicarboxylate
Tridecanedioic acid
ME273603
10458
-
3530
-
hexadecanedioate
Hexadecanedioic acid
ME273755
10459
C19615
4615
-
margarate (17:0)
Margaric acid
ME273772
10465
-
5731
-
16-hydroxypalmitate
Juniperic acid
ME273642
10466
C18218
5236.2
-
arachidate (20:0)
Arachidic acid
ME273706
10467
C06425
6295
-
raffinose
Raffinose
ME273822
10542
C00492
978.3
-
myristate (14:0)
Myristic acid
ME273775
11005
C06424
5440
-
nonadecanoate (19:0)
Nonadecylic acid
ME273795
12591
C16535
6068
-
dodecanedioate
Dodecanedioic acid
ME273736
12736
C02678
2990
-
tetradecanedioate
Tetradecanedioic acid
ME273840
13185
-
4000
-
2'-deoxyuridine
Deoxyuridine
ME273645
13712
C00526
1585.5
-
pentadecanoate (15:0)
Pentadecylic acid
ME273809
13849
C16537
5521
-
dihydroferulic acid
Dihydroferulic acid
ME273731
14340
-
1928
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME273630
14900
-
6400
-
pseudouridine
Pseudouridine
ME273818
15047
C02067
1100
-
undecanedioate
Undecanedioic acid
ME273844
15816
-
2440
-
3-hydroxymyristate
3-Hydroxytetradecanoic acid
ME273668
16064
-
5335
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME273651
21488
-
4840
-
O-methylcatechol sulfate
-
ME273797
22473
-
2344
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME273666
26612
-
4634.7
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME273669
26613
-
3446
-
ursodeoxycholate
Ursodeoxycholic acid
ME273848
31401
C07880
5055
-
13-HODE + 9-HODE
HODE
ME273640
43013
-
5275
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME273605
64960
C07326
802
-
3-methylhistidine
3-Methylhistidine
ME273677
64969
C01152
906.3
-
N-acetylvaline
N-Acetylvaline
ME273786
66789
-
1704
-
N-acetyltyrosine
N-Acetyltyrosine
ME273785
68310
-
1680
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME273711
69362
-
1027
-
2-hydroxystearate
2-Hydroxystearic acid
ME273655
69417
C03045
5695
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME273698
69820
-
2300.4
-
indole-3-carboxylic acid
Indole-3-carboxylic acid
ME273763
69867
C19837
1708.8
-
octadecanedioate
Octadecanedioic acid
ME273799
70095
-
5042.9
-
N-acetylleucine
N-Acetylleucine
ME273779
70912
C02710
2400
-
phenol sulfate
Phenyl hydrogen sulfate
ME273810
74426
C02180
2156
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME273781
74839
C03519
2597
-
eicosanodioate
Eicosanedioic acid
ME273738
75502
-
5200.9
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME273703
83697
C03264
1840
-
N-octanoylglycine
Capryloylglycine
ME273789
84290
-
4335.4
-
butyrylglycine
N-Butyrylglycine
ME273715
88412
-
1470
-
equol
Equol
ME273741
91469
C14131
4565
-
N2,N6-diacetyllysine
N,N'-Diacetyl-lysine
ME273794
91827
-
1604
-
1-methylhistidine
1-Methylhistidine
ME273621
92105
C01152
1227
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME273654
92836
-
5511.2
-
5-methylcytidine
5-Methylcytidine
ME273693
92918
-
1607.9
-
3-hydroxy-3-phenylpropionate
3-Hydroxy-3-phenylpropionic acid
ME273665
92959
-
2024
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME273653
94180
-
3736.8
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME273667
94216
-
5175
-
propionylglycine
Propionylglycine
ME273817
98681
-
960
-
hexanoylglycine
Hexanoylglycine
ME273756
99463
-
2900
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME273704
99823
-
1126
-
alpha-hydroxycaproate
2-Hydroxyhexanoic acid
ME273702
99824
-
1920
-
2-(4-hydroxyphenyl)propionate
4-Hydroxyphenyl-2-propionic acid
ME273646
102526
C03080
1797.3
-
anserine
Anserine
ME273705
112072
C01262
1124.8
-
cysteine s-sulfate
Cysteine-S-sulfate
ME273726
115015
C05824
640.9
-
taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME273838
119046
-
5073
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME273658
123409
-
6628.9
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME273684
151012
-
1475
-
N-acetylthreonine
N-Acetylthreonine
ME273783
152204
C01118
821.6
-
p-cresol-glucuronide*
P-Cresol glucuronide
ME273803
154035
-
2420
-
N-acetyltaurine
N-Acetyltaurine
ME273782
159864
-
800
-
hydroquinone sulfate
Quinol sulfate
ME273760
161220
C00530
1395
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME273650
164623
-
1800
-
N-stearoyltaurine
N-Stearoyl taurine
ME273792
168274
-
5782
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME273834
168408
-
4774
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME273692
170748
-
1267
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME273647
181670
-
1677
-
3-[3-(sulfooxy)phenyl]propanoic acid
3-(3-Sulfooxyphenyl)propanoic acid
ME273679
187488
-
1294
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME273631
190750
-
6200
-
3,4-dihydroxyphenylacetate sulfate
3,4-Dihydroxyphenylacetate sulfate
ME273660
193283
-
800
-
cholate
Cholic acid
ME273722
221493
C00695
5165
-
deoxycholate
Deoxycholic acid
ME273728
222528
C04483
5294
-
3-hydroxypalmitate
3-Hydroxyhexadecanoic acid
ME273670
301590
-
5476
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME273835
387316
C05465
5250
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME273824
439155
C00021
1832.4
-
carnosine
Carnosine
ME273719
439224
C00386
804
-
stachyose
Stachyose
ME273827
439531
C01613
920
-
N-formylmethionine
N-Formylmethionine
ME273787
439750
C03145
1543.8
-
verbascose
Verbascose
ME273850
441434
C08252
935
-
cinnamate
trans-Cinnamic acid
ME273723
444539
C00423
2878
-
arachidonate (20:4n6)
Arachidonic acid
ME273707
444899
C00219
5535
-
5-methyluridine (ribothymidine)
Ribothymidine
ME273695
445408
-
1778.1
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME273733
445580
C06429
5525
-
palmitoleate (16:1n7)
Palmitoleic acid
ME273805
445638
C08362
5475
-
ferulate
trans-Ferulic acid
ME273745
445858
C01494
1755
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME273739
446284
C06428
5450
-
N-acetylmethionine
N-Acetylmethionine
ME273780
448580
C02712
1787
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME273798
514186
-
990
-
isovalerylglycine
Isovalerylglycine
ME273767
546304
-
1950
-
flavin adenine dinucleotide (FAD)
FAD
ME273747
643975
C00016
2425
-
N-acetylcitrulline
N-Acetylcitrulline
ME273777
656979
C15532
940
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME273784
700653
C03137
2630
-
cinnamoylglycine
Cinnamoylglycine
ME273724
709625
-
3127
-
N-formylphenylalanine
N-Formylphenylalanine
ME273788
759256
-
2336
-
taurodeoxycholate
Taurodeoxycholic acid
ME273837
2733768
C05463
5257.4
-
N-acetylisoleucine
N-Acetylisoleucine
ME273778
2802421
-
2325
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME273697
3081085
C17337
5288.1
-
17-methylstearate
Xi-17-Methyloctadecanoic acid
ME273644
3083779
-
5993
-
catechol sulfate
Catechol sulfate
ME273720
3083879
C00090
1906
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME273628
3300276
-
5570
-
S-(3-hydroxypropyl)mercapturic acid (HPMA)
N-Acetyl-S-(3-hydroxypropyl)-cysteine
ME273823
3371179
-
1576
-
p-cresol sulfate
p-Cresol sulfate
ME273802
4615423
C01468
2890
-
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME273680
4684006
-
2375
-
bilirubin (Z,Z)
Bilirubin
ME273714
5280352
C00486
4796.2
-
linoleate (18:2n6)
Linoleic acid
ME273770
5280450
C01595
5535
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME273730
5280581
C03242
5596
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME273771
5280934
C06426
5450
-
genistein
Genistein
ME273748
5280961
C06563
3754
-
erucate (22:1n9)
cis-Erucic acid
ME273744
5281116
C08316
6355.6
-
myristoleate (14:1n5)
Myristoleic acid
ME273776
5281119
C08322
5346.9
-
2-arachidonoylglycerol (20:4)
MG 20:4
ME273648
5282280
C13856
6170
-
1-arachidonylglycerol (20:4)
MG 20:4
ME273612
5282281
C13857
6450
-
eicosenoate (20:1)
cis-Gondoic acid
ME273740
5282768
-
5950
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME273732
5282807
C16533
6034
-
thromboxane B2
TXB2
ME273841
5283137
C05963
4526
-
oleic ethanolamide
Oleoyl-EA
ME273800
5283454
-
6900
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME273625
5283468
-
6794
-
1-linoleoylglycerol (18:2)
MG 18:2
ME273619
5283469
-
6477
-
hyodeoxycholate
Hyodeoxycholic acid
ME273761
5283820
C15517
5097
-
beta-muricholate
beta-Muricholic acid
ME273712
5283853
C17726
4794
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME273634
5312435
-
5555
-
stearidonate (18:4n3)
Stearidonic acid
ME273829
5312508
C16300
5395
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME273635
5312513
-
5780
-
mead acid (20:3n9)
ETrE(5Z,8Z,11Z)
ME273773
5312531
-
5650
-
12-HETE
12-HETE
ME273639
5312983
-
5326
-
bilirubin (E,E)*
Bilirubin
ME273713
5315454
-
4294
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME273657
5319879
-
6950
-
2-linoleoylglycerol (18:2)
MG 18:2
ME273656
5365676
-
6250
-
adrenate (22:4n6)
Adrenic acid
ME273701
5497181
C16527
5678
-
4-hydroxycinnamate sulfate
4-Hydroxycinnamate sulfate
ME273683
6070438
-
1000
-
ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME273746
6305574
-
1225
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME273626
6419701
C04036
5600
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME273690
6426766
C05627
3320
-
N-oleoyltaurine
N-Oleoyl taurine
ME273790
6437033
-
5610
-
17-HDoHe
17-HDoHE
ME273643
6439179
-
5295
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME273729
6439848
C16525
5730
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME273734
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME273735
6441454
C16513
5624.5
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME273632
9547068
-
6514
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME273627
9547069
-
6057.2
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME273622
9547071
-
6125.1
-
benzyl alcohol glucuronide
-
ME273710
9795797
-
2222
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME273839
9848818
-
5025
-
9,10-DiHOME
9,10-DiHOME
ME273699
9966640
C14828
5180
-
12-HEPE
12-HEPE
ME273638
10041593
-
5265
-
12,13-DiHOME
12,13-DiHOME
ME273637
10236635
C14829
5137
-
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME273793
10398396
-
1367
-
heptanoyl glycine
N-Heptanoylglycine
ME273754
10932172
-
3720
-
o-cresol sulfate
o-Cresol sulfate
ME273796
11615528
-
2796
-
indoleacrylate
Indoleacrylic acid
ME273764
15030923
-
2511
-
15-methylpalmitate (isobar with 2-methylpalmitate)
15-Methylpalmitic acid
ME273641
17903417
-
5695
-
homovanillate sulfate
Homovanillic acid
ME273759
29981063
-
1047
-
1-arachidonoyl-GPE (20:4)*
LPE 20:4/0:0
ME273610
42607465
-
5874
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME273617
52925130
-
5900
-
1-linolenoylglycerol (18:3)
MG 18:3
ME273616
53480978
-
6214
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME273636
-
-
5085.8
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME273606
-
-
6250
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME273607
-
-
6285
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME273608
-
-
6500
-
1,2,3-benzenetriol sulfate (2)
-
ME273604
-
-
1709
-
1-arachidonoyl-GPA (20:4)
LPA 20:4/0:0
ME273609
-
-
5499
-
1-arachidonoyl-GPI (20:4)*
LPI 20:4/0:0
ME273611
-
-
5482
-
1-dihomo-linolenylglycerol (alpha, gamma)
MG 18:3
ME273613
-
-
6220
-
1-dihomo-linoleoylglycerol (20:2)
MG 20:2
ME273614
-
-
6800
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME273615
-
-
6150
-
1-linoleoylglycerophosphoserine*
LPS 18:2
ME273620
-
-
5500
-
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME273618
-
-
5494
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME273623
-
-
5610
-
1-oleoyl-GPI (18:1)*
LPI 18:1/0:0
ME273624
-
-
5599
-
1-palmitoyl-GPI (16:0)*
LPI 16:0/0:0
ME273629
-
-
5564
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME273633
-
-
5794.3
-
2-docosahexaenoylglcyerol*
MG 22:6
ME273649
-
-
6000
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME273659
-
-
6350
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME273671
-
-
1595.5
-
3-methoxycatechol sulfate (1)
-
ME273673
-
-
2163
-
3-methoxycatechol sulfate (2)
-
ME273674
-
-
2200
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME273681
-
-
3805
-
4-ethylphenylsulfate
4-Ethylphenol
ME273682
-
C13637
3580
-
4-methylcatechol sulfate
-
ME273688
-
-
2665
-
4-vinylguaiacol sulfate
4-Vinylguaiacol sulfate
ME273689
-
-
3354
-
aconitate [cis or trans]
cis-Aconitic acid
ME273700
-
C00417
580
-
daidzein sulfate (2)
-
ME273727
-
-
3330
-
dopamine sulfate (2)
-
ME273737
-
-
1556.2
-
equol glucuronide
-
ME273742
-
-
3215
-
equol sulfate
-
ME273743
-
-
3630
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME273774
-
-
2873
-
N-palmitoyltaurine
N-Palmitoyl taurine
ME273791
-
-
5560
-
pyrraline
Pyrraline
ME273820
-
-
2304
-
Analysis: HILIC LC-MS Negative
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
alpha-ketoglutarate
2-Oxoglutaric acid
ME273866
51
C00026
2700
-
alpha-ketobutyrate
3-Methyl pyruvic acid
ME273865
58
C00109
940
-
2-oxoadipate
Oxoadipic acid
ME273856
71
C00322
2633.1
-
2-isopropylmalate
2-Isopropylmalic acid
ME273855
77
C02504
2605
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME273860
87
C06001
1619.1
-
allantoic acid
Allantoic acid
ME273863
203
C00499
2960
-
allantoin
Allantoin
ME273864
204
C02350
1672
-
pimelate (heptanedioate)
Pimelic acid
ME273920
385
C02656
2745
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME273859
441
C01089
1443.3
-
malate
Malic acid
ME273891
525
C00149
3343.1
-
creatine phosphate
Phosphocreatine
ME273871
587
C02305
3831
-
lactate
Lactic acid
ME273890
612
C00186
1468.8
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME273852
677
C04039
1050
-
glutarate (pentanedioate)
Glutaric acid
ME273881
743
C00489
2900
-
glycerate
Glyceric acid
ME273882
752
C00258
2070.4
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME273883
754
C00093
3938.7
-
guanidinoacetate
Guanidoacetic acid
ME273887
763
C00581
2884
-
malonate
Malonic acid
ME273892
867
C00383
3447
-
myo-inositol
Myo-inositol
ME273896
892
C00137
3506.3
-
orotate
Orotic acid
ME273908
967
C00295
1638.1
-
choline phosphate
Choline phosphate
ME273870
1014
C00588
4730
-
quinolinate
Quinolinic acid
ME273922
1066
C03722
3000
-
taurine
Taurine
ME273942
1123
C00245
2120
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME273858
1662
C03761
2700
-
ribose
Ribose
ME273925
5779
C00121
1508.2
-
aspartate
Aspartic acid
ME273868
5960
C00049
3500
-
fructose
Fructose
ME273875
5984
C00095
2022.2
-
sucrose
Sucrose
ME273941
5988
C00089
3092
-
uridine 5'-monophosphate (UMP)
UMP
ME273944
6030
C00105
4150
-
asparagine
Asparagine
ME273867
6267
C00152
2951.1
-
quinate
Quinic acid
ME273921
6508
C00296
2432.9
-
ribitol
Ribitol
ME273923
6912
C00474
1789.6
-
methylsuccinate
Methylsuccinic acid
ME273894
10349
-
2800
-
gluconate
Gluconic acid
ME273878
10690
C00257
2922
-
N-acetylglycine
N-Acetylglycine
ME273899
10972
-
1780
-
dimethylmalonic acid
Dimethylmalonic acid
ME273872
11686
-
2702
-
ethylmalonate
Ethylmalonic acid
ME273874
11756
-
2785
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME273854
11970
C05852
858.6
-
3-methyladipate
3-Methyladipic acid
ME273861
12292
-
2865
-
mannose
Mannose
ME273893
18950
C00159
2200
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME273898
65065
C01042
3143
-
N-acetylserine
N-Acetylserine
ME273901
65249
-
2000
-
glucose
Glucose
ME273879
79025
C00031
2342
-
N-acetylalanine
N-Acetylalanine
ME273897
88064
C02847
1564.8
-
orotidine
Orotidine
ME273909
92751
C01103
2250
-
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME273902
93072
C00438
3800
-
hypotaurine
Hypotaurine
ME273889
107812
C00519
2763.4
-
N-glycolylneuraminate
N-Glycoloylneuraminic acid
ME273903
123802
C03410
3327.5
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME273884
123874
C01233
3075
-
galactonate
Galactonic acid
ME273877
128869
C00880
3085
-
threonate
Threonic acid
ME273943
151152
C01620
2384
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME273857
188979
-
1443.3
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME273853
193530
C02360
3000
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME273900
439197
C00270
3072.6
-
mevalonate
Mevalonic acid
ME273895
439230
C02104
1462
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME273885
439964
C03274
2430
-
glucuronate
Glucuronic acid
ME273880
444791
C00191
3233.3
-
fumarate
Fumaric acid
ME273876
444972
C00122
3084
-
3-methylglutaconate
3E-Methylglutaconic acid
ME273862
1551553
-
2579.6
-
erythronate*
Erythronic acid
ME273873
2781043
-
2186
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME273931
5283560
C06124
1850
-
N-palmitoyl-sphingosine
Cer 18:1;O2/16:0
ME273904
5283564
-
703
-
ribonate
Ribonic acid
ME273924
5460677
C01685
2425
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME273927
6443882
-
865
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME273932
6453725
C00550
979
-
gulonic acid*
Gulonic acid
ME273888
9794176
-
2750
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME273910
9939941
-
870
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME273926
11433862
-
873
-
chiro-inositol
1D-chiro-Inositol
ME273869
-
C19891
3191.2
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME273886
-
-
3850
-
oleoyl-linoleoyl-glycerophosphocholine (1)
PC 18:1_18:2
ME273905
-
-
777
-
oleoyl-linoleoyl-glycerophosphocholine (2)
PC 18:1_18:2
ME273906
-
-
860
-
oleoyl-linoleoyl-glycerophosphoinositol (1)
PI 18:1_18:2
ME273907
-
-
902
-
palmitoyl-arachidonoyl-glycerophosphocholine (1)*
PC 16:0_20:4
ME273911
-
-
870
-
palmitoyl-arachidonoyl-glycerophosphocholine (2)*
PC 16:0_20:4
ME273912
-
-
790
-
palmitoyl-linoleoyl-glycerophosphocholine (1)*
PC 16:0_18:2
ME273913
-
-
870
-
palmitoyl-linoleoyl-glycerophosphocholine (2)*
PC 16:0_18:2
ME273914
-
-
783
-
palmitoyl-linoleoyl-glycerophosphoinositol (1)*
PI 16:0_18:2
ME273915
-
-
910
-
palmitoyl-oleoyl-glycerophosphocholine (1)*
PC 16:0_18:1
ME273916
-
-
853
-
palmitoyl-oleoyl-glycerophosphoglycerol (2)
PG 16:0_18:1
ME273917
-
-
745
-
palmitoyl-palmitoyl-glycerophosphocholine (1)*
PC 16:0/16:0
ME273918
-
-
854
-
palmitoyl-palmitoyl-glycerophosphocholine (2)*
PC 16:0/16:0
ME273919
-
-
790
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME273928
-
-
910
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME273929
-
-
850
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME273930
-
-
866
-
stearoyl-arachidonoyl-glycerophosphocholine (1)*
PC 18:0_20:4
ME273933
-
-
869
-
stearoyl-arachidonoyl-glycerophosphocholine (2)*
PC 18:0_20:4
ME273934
-
-
790
-
stearoyl-arachidonoyl-glycerophosphoethanolamine (...
PE 18:0_20:4
ME273935
-
-
750
-
stearoyl-arachidonoyl-glycerophosphoinositol (1)*
PI 18:0_20:4
ME273936
-
-
897
-
stearoyl-arachidonoyl-glycerophosphoinositol (2)
PI 18:0_20:4
ME273937
-
-
850
-
stearoyl-linoleoyl-glycerophosphocholine (1)*
PC 18:0_18:2
ME273938
-
-
792
-
stearoyl-linoleoyl-glycerophosphocholine (2)*
PC 18:0_18:2
ME273939
-
-
867
-
stearoyl-linoleoyl-glycerophosphoethanolamine (1)*
PE 18:0_18:2
ME273940
-
-
750
-
Analysis: GC-MS
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME273949
43
C02630
1576
-
beta-alanine
beta-Alanine
ME273956
239
C00099
1582.3
-
glycine
Glycine
ME273963
750
C00037
1166
-
glycolate (hydroxyacetate)
Glycolic acid
ME273964
757
C00160
1119
-
1,2-propanediol
1,2-Propanediol
ME273946
1030
C00583
1041
-
sarcosine (N-Methylglycine)
Sarcosine
ME273969
1088
C00213
1182.9
-
sorbitol
Sorbitol
ME273970
5780
C00794
1843
-
cholestanol
Dihydrocholesterol
ME273959
6665
C12978
2320.8
-
xylitol
Xylitol
ME273971
6912
C00379
1677.6
-
2-hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME273950
11671
-
1107.5
-
alpha-tocopherol
alpha-Tocopherol
ME273951
14985
C02477
2305.4
-
1-stearoylglycerol (18:0)
MG 18:0/0:0/0:0
ME273947
24699
D01947
2186.6
-
arabinose
Arabinose
ME273952
66308
C00216
1631.6
-
arabitol
Arabitol
ME273953
94154
C01904
1687.5
-
1,2-dipalmitoylglycerol
DG 16:0_16:0
ME273945
99931
-
2600
-
arabonate
Arabinonic acid
ME273954
122045
C00878
1736
-
xylose
Xylose
ME273973
135191
C00181
1723.9
-
ribulose
L-Ribulose
ME273967
151261
C00309
1662
-
campesterol
Campesterol
ME273958
173183
C01789
2353
-
beta-sitosterol
Sitosterol
ME273957
222284
C01753
2380.8
-
erythritol
Erythritol
ME273962
222285
C00503
1517.5
-
inositol 1-phosphate (I1P)
Inositol 3-phosphate
ME273965
440194
C04006
2057.8
-
2-hydroxybutyrate (AHB)
2-Hydroxybutyric acid
ME273948
440864
C05984
1169.4
-
oleate (18:1n9)
Oleic acid
ME273966
445639
C00712
1984.4
-
cis-vaccenate (18:1n7)
cis-Vaccenic acid
ME273961
5282761
C08367
1987
-
xylonate
Xylonic acid
ME273972
6602431
C05411
1722
-
cholesterol
Cholesterol
ME273960
11025495
C00187
2316.9
-
ascorbate (Vitamin C)
Vitamin C
ME273955
-
C00072
1850.1
-
ribulose/xylulose 5-phosphate
Ribulose 5-phosphate
ME273968
-
C00199
1935
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel