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Return to study ST002809 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
AMP
AMP
ME726333
6083
C00020
1013
-
xanthine
Xanthine
ME726523
1188
C00385
1032
-
N-acetylglutamate
N-Acetylglutamic acid
ME726450
70914
C00624
1050
-
betaine
Betaine
ME726343
247
C00719
1064
-
hydroxyproline
Hydroxyproline
ME726414
5810
C01157
1064
-
dimethylglycine
Dimethylglycine
ME726368
673
C03626
1104
-
4-hydroxyglutamate
Erythro-4-hydroxy-glutamic acid
ME726313
439902
C03079
1141
-
hydroxyasparagine
Hydroxyasparagine
ME726412
15991574
C20631
1149
-
aspartate
Aspartic acid
ME726338
5960
C00049
1165
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME726449
123826
C04540
1212
-
asparagine
Asparagine
ME726337
6267
C00152
1225
-
serine
Serine
ME726496
5951
C00065
1239
-
methionine sulfone
Methionine sulfone
ME726431
69961
-
1250
-
thioproline
Thioproline
ME726507
93176
-
1250
-
methionine sulfoxide
Methionine sulfoxide
ME726432
158980
C02989
1272
-
5,6-dihydrothymine
Dihydrothymine
ME726318
93556
C00906
1280
-
sarcosine
Sarcosine
ME726494
1088
C00213
1280
-
2'-deoxyadenosine 5'-monophosphate
dAMP
ME726295
12599
C00360
1284
-
glutamine
Glutamine
ME726393
5961
C00064
1291
-
N-methylproline
N-Methyl-proline
ME726465
643474
-
1335
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME726311
18189
C02946
1350
-
gamma-glutamylserine
gamma-Glu-Ser
ME726387
22844748
-
1351
-
glycine
Glycine
ME726401
750
C00037
1375
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME726510
5570
C01004
1388
-
N-acetylcysteine
N-Acetylcysteine
ME726447
12035
C06809
1416
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME726380
150914
C05283
1430
-
N1-methylinosine
1-Methylinosine
ME726438
650095
-
1430
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME726326
3014237
-
1432
-
stachydrine
Stachydrine
ME726502
115244
C10172
1440
-
cysteine
Cysteine
ME726357
5862
C00097
1475
-
S-carboxymethyl-L-cysteine
S-Carboxymethyl-cysteine
ME726495
193653
C03727
1490
-
glutamate
Glutamic acid
ME726391
33032
C00025,C00217
1500
-
threonine
Threonine
ME726508
6288
C00188
1514
-
citrulline
Citrulline
ME726352
9750
C00327
1520
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME726491
11966181
C04322
1528
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME726381
100099
-
1535
-
N4-acetylcytidine
N4-Acetylcytidine
ME726440
107461
-
1580
-
proline
Proline
ME726480
-
C00148,C000763
1603
-
gamma-glutamylcitrulline*
-
ME726376
-
-
1644
-
pantothenate (Vitamin B5)
Pantothenic acid
ME726471
6613
C00864
1667
-
N-acetylproline
N-Acetyl-proline
ME726457
322640
-
1695
-
alanine
Alanine
ME726331
5950
C00041
1700
-
lanthionine
Lanthionine
ME726425
98504
-
1730
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME726388
76078708
-
1750
-
homostachydrine*
(S)-Homostachydrine
ME726411
441447
C08283
1750
-
2-oxoarginine*
2-Oxoarginine
ME726300
558
C03771
1760
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME726379
92865
C05282
1775
-
pterin
Pterin
ME726484
135398660
C00715
1805
-
formiminoglutamate
Formiminoglutamic acid
ME726371
439233
C00439
1880
-
glutamine_degradant*
-
ME726394
-
-
1900
-
beta-alanine
beta-Alanine
ME726340
239
C00099
1905
-
homocitrulline
Homocitrulline
ME726409
65072
C02427
1908
-
2-aminoadipate
alpha-Aminoadipic acid
ME726293
92136
C00956
1912
-
betaine aldehyde
Betaine aldehyde
ME726344
249
C00576
1915
-
N-methylpipecolate
N-methyl pipecolic acid
ME726464
11286529
-
1932
-
pyridoxamine phosphate
Pyridoxamine 5'-phosphate
ME726488
1053
C00647
1932
-
guanidinoacetate
Guanidoacetic acid
ME726405
763
C00581
1937
-
1-methylnicotinamide
1-Methyl nicotinamide
ME726292
457
C02918
1940
-
nicotinamide
Niacinamide
ME726460
936
C00153
1942
-
creatine
Creatine
ME726354
586
C00300
1947
-
choline
Choline
ME726351
305
C00114
1961
-
carnitine
Carnitine
ME726348
288
C00487,C00308
1978
-
ectoine
Ectoine
ME726369
126041
C06231
1980
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME726374
440103
C03738
1986
-
1-methyl-5-imidazoleacetate
1-Methyl-5-imidazoleacetic acid
ME726287
6451814
-
1989
-
1-methyl-5-imidazolelactate
-
ME726288
-
-
1995
-
cystine
Cystine
ME726361
67678
C00491
2000
-
glutathione, reduced (GSH)
Glutathione
ME726396
124886
D00014,C00051
2000
-
guanine
Guanine
ME726406
135398634
C00242
2032
-
imidazole lactate
Imidazolelactic acid
ME726416
793
C05568
2040
-
nicotinamide riboside
Nicotinamide riboside
ME726462
439924
C03150
2040
-
deoxycarnitine
3-Dehydroxycarnitine
ME726365
22620
C01181
2052
-
4-imidazoleacetate
Imidazoleacetic acid
ME726314
96215
C02835
2055
-
creatinine
Creatinine
ME726355
588
C00791
2055
-
cytosine
Cytosine
ME726363
597
C00380
2060
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME726286
75810
C05828
2064
-
3-amino-2-piperidone
3-Amino-2-piperidone
ME726301
5200225
-
2065
-
N-acetylhistidine
N-Acetylhistidine
ME726453
75619
C02997
2065
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME726347
2572
-
2085
-
ophthalmate
Ophthalmic acid
ME726468
7018721
-
2085
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME726511
1145
C01104
2100
-
N-methyl-GABA
4-(Methylamino)butyric acid
ME726463
70703
C15987
2109
-
gamma-glutamylcysteine
gamma-Glutamylcysteine
ME726377
123938
C00669
2118
-
1-methyladenosine
1-Methyladenosine
ME726290
27476
C02494
2120
-
cytidine
Cytidine
ME726362
6175
C00475
2124
-
prolylhydroxyproline
Pro-hydroxyPro
ME726482
11902893
-
2128
-
cysteinylglycine
Cys-Gly
ME726359
439498
C01419
2132
-
1-methyladenine
1-Methyladenine
ME726289
135398646
C02216
2133
-
prolylglycine
Pro-Gly
ME726481
6426709
-
2136
-
beta-guanidinopropanoate
3-Guanidinopropanoic acid
ME726341
67701
C03065
2145
-
homocysteine
Homocysteine
ME726410
778
C00155
2155
-
adenosine
Adenosine
ME726330
60961
C00212
2169
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME726392
68662
-
2170
-
7-methylguanine
7-Methylguanine
ME726327
135398679
C02242
2175
-
3-methylcytidine
3-Methylcytidine
ME726306
14237477
-
2176
-
N,N,N-trimethyl-5-aminovalerate
N,N,N-trimethyl-5-aminovalerate
ME726434
14274897
-
2186
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME726302
64956
C05145
2190
-
2'-deoxycytidine
Deoxycytidine
ME726296
13711
C00881
2193
-
5-methylcytosine
5-Methylcytosine
ME726323
65040
C02376
2195
-
pipecolate
Pipecolic acid
ME726479
-
-
2200
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME726439
135501639
-
2210
-
5-aminovalerate
5-Aminopentanoic acid
ME726320
138
C00431
2220
-
adenine
Adenine
ME726329
190
C00147
2221
-
5-methylcytidine
5-Methylcytidine
ME726322
92918
-
2227
-
N-acetylputrescine
N-Acetylputrescine
ME726458
122356
C02714
2230
-
N-acetylarginine
N-Acetylarginine
ME726444
67427
C02562
2245
-
2'-deoxyadenosine
Deoxyadenosine
ME726294
13730
C00559
2252
-
imidazole propionate
Imidazole propanoate
ME726417
70630
-
2263
-
cystathionine
Cystathionine
ME726356
439258
C02291
2270
-
acetylcarnitine (C2)
CAR 2:0
ME726328
7045767
C02571
2282
-
N,N-dimethyl-5-aminovalerate
N,N-Dimethyl-5-aminovaleric acid
ME726436
-
-
2290
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME726503
71464481
-
2291
-
riboflavin (Vitamin B2)
Riboflavin
ME726490
493570
C00255
2292
-
N-acetyl-isoputreanine
N-Acetylisoputreanine
ME726455
131802901
-
2305
-
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME726316
1136
C04294
2310
-
phenylacetylglycine
Phenylacetylglycine
ME726472
68144
C05598
2317
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME726312
500
C01035
2320
-
(S)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME726285
71464477
-
2340
-
pyridoxal
Pyridoxal
ME726486
1050
C00250
2343
-
thiamin monophosphate
Thiamine monophosphate
ME726506
-
C01081
2378
-
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME726373
-
-
2380
-
kynurenate
Kynurenic acid
ME726423
3845
C01717
2385
-
(R)-3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME726284
53481617
-
2400
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME726299
150971
-
2411
-
tyrosine
Tyrosine
ME726516
6057
C00082
2430
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME726358
3080690
R00900
2465
-
N,N,N-trimethyl-alanylproline betaine (TMAP)
N,N,N-Trimethyl-alanylproline betaine
ME726435
-
-
2470
-
valine
Valine
ME726521
6287
C00183
2479
-
N,N-dimethyl-pro-pro
-
ME726437
-
-
2500
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME726389
94340
-
2518
-
methionine
Methionine
ME726430
6137
C00073
2526
-
saccharopine
Saccharopine
ME726492
160556
C00449
2530
-
cysteinylglycine disulfide*
Cysteinylglycine disulfide
ME726360
22833544
-
2547
-
serotonin
Serotonin
ME726497
5202
C00780
2550
-
3-methoxytyrosine
3-Methoxytyrosine
ME726305
9307
-
2555
-
S-methylmethionine
S-Methylmethionine
ME726499
458
C05319
2555
-
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME726342
-
-
2584
-
propionylcarnitine (C3)
CAR 3:0
ME726483
107738
C03017
2590
-
N-acetylisoleucine
N-Acetylisoleucine
ME726454
306109
-
2600
-
leucylglutamine*
Leu-Gln
ME726427
4305457
-
2620
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME726385
7009567
-
2640
-
glutathione, oxidized (GSSG)
Oxidized glutathione
ME726395
65359
D00031,C00127
2667
-
3-methylhistidine
3-Methylhistidine
ME726307
64969
C01152
2670
-
tryptophan betaine
Lenticin
ME726514
442106
C09213
2673
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME726350
10981970
-
2700
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME726390
7015683
-
2700
-
isoleucylhydroxyproline*
Isoleucylhydroxyproline
ME726421
61158802
-
2707
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME726378
7015685
-
2725
-
glycylvaline
Gly-Val
ME726404
2724807
-
2734
-
3-formylindole
1H-Indole-3-carboxaldehyde
ME726303
10256
C08493
2736
-
kynurenine
Kynurenine
ME726424
161166
C00328
2739
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME726382
7017195
-
2740
-
argininosuccinate
Argininosuccinic acid
ME726336
60150382
C03406
2745
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME726325
439176
C00170
2752
-
1-methylhistidine
1-Methylhistidine
ME726291
92105
C01152
2755
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME726317
66995551
-
2755
-
oxindolylalanine
Oxyindolylalanine
ME726470
20977764
-
2756
-
hydroxy-N6,N6,N6-trimethyllysine*
-
ME726413
-
-
2759
-
leucylglycine
Leu-Gly
ME726428
79070
-
2778
-
fructosyllysine
Fructosyllysine
ME726372
9839580
-
2784
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME726375
65254
-
2784
-
5-hydroxylysine
5-Hydroxylysine
ME726321
3032849
C16741
2790
-
O-methyltyrosine
O-Methyltyrosine
ME726467
-
D00762
2790
-
isoleucine
Isoleucine
ME726420
6306
C16424,C00407,C06418
2800
-
ornithine
Ornithine
ME726469
6262
C00077
2800
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME726419
168379
-
2810
-
arginine
Arginine
ME726335
6322
C00062
2825
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME726441
440120
C03793
2825
-
N6-methyllysine
N(6)-Methyllysine
ME726443
164795
C02728
2831
-
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME726442
193344
C05545
2831
-
N-monomethylarginine
Targinine
ME726466
132862
C03884
2845
-
dimethylarginine (ADMA + SDMA)
Dimethylarginine
ME726367
-
C21189,C03626
2850
-
lysine
Lysine
ME726429
5962
C00047,C00739
2850
-
butyrylcarnitine (C4)
CAR 4:0
ME726345
439829
C02862
2860
-
leucine
Leucine
ME726426
6106
C00123
2864
-
phenylalanine
Phenylalanine
ME726473
6140
C00079
2878
-
homoarginine
Homoarginine
ME726408
9085
C01924
2882
-
phenylalanylglycine
Phe-Gly
ME726475
6992304
-
2898
-
phenylalanylalanine
Phe-Ala
ME726474
5488196
-
2909
-
3-hydroxyhexanoylcarnitine (1)
CAR 6:0;3OH
ME726304
-
-
2918
-
anserine
Anserine
ME726334
112072
C01262
2924
-
tryptophylglycine
Trp-Gly
ME726515
263471
-
2930
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME726383
22885096
-
2940
-
carnosine
Carnosine
ME726349
439224
C00386
2942
-
tiglyl carnitine (C5)
CAR 4:1;2Me
ME726509
22833596
-
2962
-
pyridoxamine
Pyridoxamine
ME726487
1052
C00534
2975
-
tryptophan
Tryptophan
ME726513
6305
C00078
2986
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME726384
151023
-
2991
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME726386
111299
-
2992
-
glycylisoleucine
Gly-Ile
ME726402
259613
-
3002
-
S-adenosylmethionine (SAM)
S-Adenosylmethionine
ME726493
34755
C00019
3002
-
putrescine
Putrescine
ME726485
1045
C00134
3027
-
cadaverine
Cadaverine
ME726346
273
C01672
3036
-
benzoylcarnitine*
Benzoylcarnitine
ME726339
-
-
3041
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME726298
6426901
-
3050
-
thiamin (Vitamin B1)
Thiamine
ME726505
1130
DG00125,C00378,D08580
3050
-
alanylleucine
Ala-Leu
ME726332
259583
-
3055
-
glycylleucine
Gly-Leu
ME726403
92843
C02155
3059
-
tryptamine
Tryptamine
ME726512
1150
C00398
3062
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME726283
-
C00612,C01029
3080
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME726422
169235
C20826
3085
-
5-methylnorleucine
-
ME726324
94817
-
3116
-
valylleucine
Val-Leu
ME726522
352039
-
3138
-
spermine
Spermine
ME726501
1103
C00750
3350
-
spermidine
Spermidine
ME726500
1102
C00315
3355
-
hexanoylcarnitine (C6)
CAR 6:0
ME726407
6426853
-
3358
-
methylphosphate
Methanolphosphate
ME726433
13130
-
544
-
phosphate
Phosphoric acid
ME726476
1061
C00009
576
-
glycerophosphoserine*
sn-Glycero-3-phosphoserine
ME726400
3081457
-
577
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME726397
754
C0093
580
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME726308
724
C00597
590
-
UMP
UMP
ME726517
6030
C00105
590
-
3-phosphoserine
Phosphoserine
ME726309
68841
C02532,C01005
591
-
N-glycolylneuraminate
N-Glycoloylneuraminic acid
ME726459
123802
C03410
636
-
inosine 5'-monophosphate (IMP)
IMP
ME726418
8582
C00130
650
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME726398
123874
C01233
659
-
taurine
Taurine
ME726504
1123
C00245
660
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME726399
71920
C00670
672
-
phosphocholine
Choline phosphate
ME726477
1014
C00588
700
-
phosphoethanolamine (PE)
Phosphoethanolamine
ME726478
1015
C00346
700
-
urea
Urea
ME726520
1176
C00086
700
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME726448
-
C01074
715
-
hypotaurine
Hypotaurine
ME726415
107812
C00519
724
-
nicotinamide ribonucleotide (NMN)
Nicotinamide ribotide
ME726461
14180
C00455
766
-
urate
Uric acid
ME726519
1175
C00366
776
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME726319
94312
-
780
-
N-acetylasparagine
N-Acetylasparagine
ME726445
99715
-
785
-
diacetylchitobiose
N,N'-Diacetylchitobiose
ME726366
439544
C01674
790
-
5'- GMP
GMP
ME726315
6804
C00144
800
-
N-acetylglycine
N-Acetylglycine
ME726452
10972
-
826
-
uracil
Uracil
ME726518
1174
C00106
827
-
CMP
CMP
ME726353
6131
C00055
835
-
N-acetylglutamine
N-Acetylglutamine
ME726451
182230
C02716
845
-
quinolinate
Quinolinic acid
ME726489
1066
C03722
845
-
ergothioneine
Ergothioneine
ME726370
5351619
C05570
850
-
3-ureidopropionate
Ureidopropionic acid
ME726310
111
C02642
875
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME726446
65065
C01042
880
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME726456
11902949
-
880
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME726498
82142
-
900
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME726297
43
C02630
958
-
dCMP
dCMP
ME726364
13945
C00239
975
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
heme
Heme
ME726626
26945
C00032
1124
-
laurylcarnitine (C12)
CAR 12:0
ME726634
168381
-
1235
-
hexadecasphingosine (d16:1)*
C16 Sphingosine
ME726629
14767871
-
1289
-
hexadecasphinganine (d16:0)*
C16 Sphinganine
ME726628
656816
C13915
1300
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME726642
129691961
-
1316
-
myristoylcarnitine (C14)
CAR 14:0
ME726644
6426854
-
1350
-
sphingadienine
Sphingadienine
ME726684
6449795
-
1350
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME726666
71464547
-
1357
-
pentadecanoylcarnitine (C15)*
CAR 15:0
ME726681
123132011
-
1362
-
phytosphingosine
Phytosphingosine
ME726682
122121
C12144
1367
-
heptadecasphingosine (d17:1)
C17 Sphingosine
ME726627
5283557
-
1377
-
docosahexaenoylcholine
-
ME726613
-
-
1378
-
palmitoloelycholine
-
ME726668
-
-
1385
-
linoleoylcholine*
alpha-Linoleoylcholine
ME726639
53481656
-
1388
-
sphingosine
Sphingosine
ME726709
5280335
C00319
1393
-
sphinganine
Sphinganine
ME726685
3126
C00836
1413
-
oleoylcarnitine (C18:1)
CAR 18:1
ME726659
6441392
-
1423
-
margaroylcarnitine (C17)*
CAR 17:0
ME726641
53477803
-
1424
-
palmitoylcarnitine (C16)
CAR 16:0
ME726674
461
C02990
1425
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME726638
6450015
-
1430
-
eicosanoylsphingosine (d20:1)*
-
ME726614
-
-
1443
-
oleoylcholine
Oleoylcholine
ME726660
59040790
-
1449
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME726548
11988421
C04100
1465
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME726549
52925130
-
1482
-
palmitoylcholine
Palmitoylcholine
ME726675
151731
-
1482
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME726615
-
-
1484
-
stearoylcarnitine (C18)
CAR 18:0
ME726714
3006797
-
1485
-
1-arachidonoyl-GPI* (20:4)*
LPI 20:4/0:0
ME726545
121596217
-
1500
-
arachidoylcarnitine (C20)*
CAR 20:0
ME726598
53477833
-
1512
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME726575
86554
C04102
1525
-
erucoylcarnitine (C22:1)*
CAR 22:1
ME726616
-
-
1535
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME726576
9547069
-
1544
-
palmitoleoyl ethanolamide*
Palmitoleoyl-EA
ME726665
9835868
-
1546
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME726533
10917802
-
1547
-
1-oleoyl-GPS (18:1)
LPS 18:1/0:0
ME726558
85036846
-
1555
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME726534
-
-
1558
-
behenoylcarnitine (C22)*
CAR 22:0
ME726601
71464577
-
1561
-
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME726524
-
-
1566
-
nervonoylcarnitine (C24:1)*
CAR 24:1
ME726647
-
-
1602
-
lignoceroylcarnitine (C24)*
CAR 24:0
ME726636
-
-
1603
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME726589
497300
-
1606
-
ximenoylcarnitine (C26:1)*
CAR 26:1
ME726718
-
-
1607
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME726590
9547068
-
1626
-
1-oleoyl-GPG (18:1)*
LPG 18:1/0:0
ME726557
-
-
1628
-
1-stearoyl-GPS (18:0)*
LPS 18:0/0:0
ME726592
74819135
-
1634
-
retinol (Vitamin A)
Retinol
ME726683
445354
C00473
1636
-
arachidonate (20:4n6)
Arachidonic acid
ME726597
444899
C00219
1640
-
palmitoyl ethanolamide
Palmitoyl-EA
ME726670
4671
C16512
1643
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME726538
-
-
1649
-
cerotoylcarnitine (C26)*
CAR 26:0
ME726609
53477828
-
1649
-
oleoyl ethanolamide
Oleoyl-EA
ME726657
5283454
-
1661
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME726591
-
-
1700
-
margaroyl ethanolamide*
Margaroyl-EA
ME726640
14455158
-
1714
-
carotene diol (1)
Carotene diol
ME726603
-
-
1720
-
stearoyl ethanolamide
Stearoyl-EA
ME726710
27902
-
1787
-
bilirubin
Bilirubin
ME726602
5280352
C00486
1840
-
sphingomyelin (d18:2/14:0, d18:1/14:1)*
SM 32:2;O2
ME726702
-
-
1860
-
sphingomyelin (d17:2/16:0, d18:2/15:0)*
SM 33:2;O2
ME726688
-
-
1875
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME726547
24779481
-
1907
-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*
PC 14:0/20:4
ME726550
24778634
-
1950
-
sphingomyelin (d17:1/14:0, d16:1/15:0)*
SM 31:1;O2
ME726686
-
-
1950
-
1-cerotoyl-GPC (26:0)*
LPC 26:0/0:0
ME726546
-
-
1990
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME726691
11433862
-
1998
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME726703
-
-
2002
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME726564
6441886
-
2055
-
myristoyl dihydrosphingomyelin (d18:0/14:0)*
SM 18:0;O2/14:0
ME726643
44260138
-
2060
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...
SM 33:1;O2
ME726687
-
-
2082
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*
PC 18:1/22:6
ME726554
24778955
-
2100
-
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*
PC 16:0_18:3
ME726566
24778699
-
2110
-
1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*
PE 18:1/22:6
ME726555
52922113
-
2119
-
nervonoyl ethanolamide (24:1)*
Nervonoyl-EA
ME726646
-
-
2153
-
1-palmitoleoyl-2-oleoyl-GPC (16:1/18:1)*
PC 16:1/18:1
ME726559
-
-
2155
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*
PE 16:0/22:6
ME726565
9546799
-
2160
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME726567
5287971
-
2160
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME726693
6443882
-
2167
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME726671
9939941
-
2168
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME726525
-
-
2200
-
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)*
PE 18:1/20:4
ME726552
348281223
-
2200
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME726561
10747814
C05208
2200
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME726572
6443788
-
2200
-
palmitoyl-sphingosine-phosphoethanolamine (d18:1/1...
EPC 18:1;O2/16:0
ME726680
-
-
2207
-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...
PC P-16:0/16:1 or PC O-16:1/16:1
ME726531
52923882
-
2218
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME726551
129657
-
2250
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME726562
9546800
C05210
2250
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*
PE 18:1/18:2
ME726556
9546753
-
2270
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME726669
9939965
-
2290
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME726526
52925126
-
2300
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)...
PC P-16:0/18:2 or PC O-16:1/18:2
ME726527
24779386
-
2300
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME726581
24778876
-
2300
-
1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)*
PE 16:1/18:1
ME726560
52924899
-
2325
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME726692
46891763
-
2350
-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...
SM 40:3;O2
ME726699
-
-
2350
-
desmosterol
Desmosterol
ME726612
439577
C01802
2364
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*
PE 18:0/22:6
ME726582
9546798
-
2375
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)...
PE P-16:0/18:2 or PE O-16:1/18:2
ME726528
52925127
-
2400
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME726577
16219824
-
2400
-
sphingomyelin (d18:2/24:2)*
SM 18:2;O2/24:2
ME726708
-
-
2400
-
1,2-dioleoyl-GPC (18:1/18:1)
PC 18:1/18:1
ME726539
10350317
-
2420
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME726542
452110
D03585
2450
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME726568
6436017
C13875
2450
-
sphingomyelin (d18:1/20:1, d18:2/20:0)*
SM 38:2;O2
ME726696
-
-
2450
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME726711
6453725
C00550
2450
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME726578
5289133
C05210
2475
-
ceramide (d18:1/14:0, d16:1/16:0)*
Cer 36:1;O2
ME726605
-
-
2477
-
N-palmitoyl-sphingadienine (d18:2/16:0)*
Cer 18:2;O2/16:0
ME726650
-
-
2490
-
1,2-dipalmitoyl-GPE (16:0/16:0)*
PE 16:0/16:0
ME726543
445468
-
2498
-
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME726689
44260130
-
2500
-
sphingomyelin (d18:2/21:0, d16:2/23:0)*
SM 39:2;O2
ME726704
-
-
2500
-
sphingomyelin (d18:2/23:1)*
SM 18:2;O2/23:1
ME726706
-
-
2500
-
4-cholesten-3-one
Cholestenone
ME726594
91477
C00599
2520
-
alpha-tocopherol
alpha-Tocopherol
ME726596
86472
C02477
2522
-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
LacCer 18:1;O2/16:0
ME726632
53477895
-
2527
-
1,2-dioleoyl-GPE (18:1/18:1)
PE 18:1/18:1
ME726540
9546757
-
2535
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*
PC P-16:0/18:1 or PC O-16:1/18:1
ME726529
34779384
-
2550
-
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)...
PC P-16:0/16:0 or PC O-16:1/16:0
ME726532
11146967
-
2550
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME726535
9547058
-
2550
-
sphingomyelin (d18:1/19:0, d19:1/18:0)*
SM 37:1;O2
ME726694
-
-
2550
-
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)
PS 18:0/20:4
ME726580
24779545
-
2565
-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*
PI 16:0/20:4
ME726563
-
-
2567
-
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)*
PI 18:1/20:4
ME726553
-
-
2568
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*
DG 18:2_20:4
ME726637
9543796
-
2590
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME726569
5283496
-
2600
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME726623
-
-
2623
-
N-palmitoyl-phytosphingosine (t18:0/16:0)
Cer 18:0;O3/16:0
ME726649
10506988
-
2632
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME726585
24778825
-
2644
-
1-palmitoyl-2-oleoyl-GPS (16:0/18:1)
PS 16:0/18:1
ME726571
5283499
C13880
2660
-
1-stearoyl-2-linoleoyl-GPS (18:0/18:2)
PS 18:0/18:2
ME726584
9547091
-
2689
-
cholesterol
Cholesterol
ME726610
-
C00187
2707
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*
PE P-16:0/18:1 or PE O-16:1/18:1
ME726530
52925128
-
2750
-
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*
PE P-18:0/18:2 or PE O-18:1/18:2
ME726536
-
-
2750
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME726573
24778686
C03889
2750
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME726707
85336023
-
2750
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME726698
-
-
2775
-
1,2-dioleoyl-GPS (18:1/18:1)
PS 18:1/18:1
ME726541
6438639
-
2800
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME726695
44260124
-
2800
-
N-stearoyl-sphingadienine (d18:2/18:0)*
Cer 18:2;O2/18:0
ME726653
132282053
-
2846
-
1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*
PE 16:0/18:0
ME726574
5326793
-
2850
-
sphingomyelin (d18:0/20:0, d16:0/22:0)*
SM 38:0;O2
ME726690
-
-
2850
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME726652
5283564
-
2893
-
lactosyl-N-stearoyl-sphingosine (d18:1/18:0)*
LacCer 18:1;O2/18:0
ME726633
10260120
-
2906
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*
DG 16:0_20:4
ME726672
9543736
-
2916
-
1,2-distearoyl-GPC (18:0/18:0)
PC 18:0/18:0
ME726544
94190
-
2950
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME726586
9546742
-
2950
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*
DG 18:1_20:4
ME726658
9543786
-
2990
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME726579
-
-
3000
-
1-stearoyl-2-oleoyl-GPS (18:0/18:1)
PS 18:0/18:1
ME726588
9547087
-
3000
-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...
SM 39:1;O2
ME726697
-
-
3000
-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...
SM 41:2;O2
ME726705
134757653
-
3000
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*
DG 16:0_20:4
ME726673
9543736
-
3015
-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME726625
-
-
3053
-
ceramide (d18:1/17:0, d17:1/18:0)*
Cer 35:1;O2
ME726606
-
-
3055
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME726651
5283572
-
3090
-
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)
PE P-18:0/18:1 or PE O-18:1/18:1
ME726537
42607457
-
3100
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME726661
14275396
-
3115
-
glycosyl-N-stearoyl-sphinganine (d18:0/18:0)*
HexCer 18:0;O2/18:0
ME726624
6321364
-
3134
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*
PI 16:0/18:1
ME726570
71296232
-
3140
-
palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]*
DG 16:1_18:1
ME726667
71768100
-
3154
-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
PI 18:0/18:2
ME726583
-
-
3185
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*
DG 16:0_18:2
ME726676
131801744
-
3197
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME726700
44260126
-
3200
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME726662
71433693
-
3223
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME726600
44260125
-
3250
-
stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]*
DG 18:0_22:6
ME726715
-
-
3256
-
behenoyl dihydrosphingomyelin (d18:0/22:0)*
SM 18:0;O2/22:0
ME726599
44260132
-
3300
-
tricosanoyl sphingomyelin (d18:1/23:0)*
SM 18:1;O2/23:0
ME726717
-
-
3350
-
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*
HexCer 40:2;O2
ME726617
-
-
3373
-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*
HexCer 42:3;O2
ME726620
-
-
3380
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME726655
5283565
-
3392
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*
DG 18:0_20:4
ME726712
6438587
C00165
3404
-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*
HexCer 38:1;O2
ME726618
-
-
3414
-
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*
HexCer 18:2;O2/22:0
ME726622
-
-
3420
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME726635
-
-
3437
-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...
SM 43:1;O2
ME726701
-
-
3500
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*
DG 18:0_20:4
ME726713
6438587
-
3522
-
N-stearoyl-sphinganine (d18:0/18:0)*
Cer 18:0;O2/18:0
ME726654
5283573
-
3526
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*
DG 16:0_18:1
ME726677
5282283
C13861
3562
-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*
DG 18:1_18:1
ME726663
9543716
-
3571
-
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*
HexCer 41:2;O2
ME726619
-
-
3667
-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*
DG 18:1_18:1
ME726664
9543716
-
3695
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*
DG 16:0_18:1
ME726678
5282283
C13861
3695
-
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*
PI 18:0/18:1
ME726587
-
-
3711
-
palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]*
DG 16:0_16:0
ME726679
644078
-
3734
-
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*
DG 18:0_18:2
ME726716
-
-
3762
-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*
LacCer 18:1;O2/24:1
ME726631
-
-
3778
-
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...
-
ME726621
-
-
3839
-
lactosyl-N-behenoyl-sphingosine (d18:1/22:0)*
LacCer 18:1;O2/22:0
ME726630
44260143
-
3842
-
ceramide (d16:1/24:1, d18:1/22:1)*
Cer 40:2;O2
ME726604
-
-
3850
-
ceramide (d18:2/24:1, d18:1/24:2)*
Cer 42:3;O2
ME726608
-
-
3858
-
N-nervonoyl-sphingadiene (d18:2/24:1)*
Cer 18:2;O2/24:1
ME726648
-
-
3858
-
N-behenoyl-sphingadienine (d18:2/22:0)*
Cer 18:2;O2/22:0
ME726645
-
-
3911
-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*
Cer 38:1;O2
ME726607
-
-
3920
-
cis-3,4-methyleneheptanoylcarnitine
-
ME726611
-
-
845
-
6-keto prostaglandin F1alpha
6-Keto-PGF1alpha
ME726595
5280888
C05961
926
-
octanoylcarnitine (C8)
CAR 8:0
ME726656
-
C02838
950
-
3-hydroxydecanoylcarnitine
CAR 10:0;3OH
ME726593
121454166
-
961
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
HEPES
-
ME726832
23831
-
1022
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME726807
69362
-
1027
-
N6-acetyllysine
N6-Acetyllysine
ME726852
92832
C02727
1059
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME726849
-
-
1070
-
xanthosine
Xanthosine
ME726905
64959
C01762
1075
-
pseudouridine
Pseudouridine
ME726886
15047
C02067
1100
-
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*
2,3-Dihydroxy-5-methylthio-4-pentenoic acid
ME726751
-
-
1156
-
2'-deoxyadenosine 3'-monophosphate
-
ME726756
167350
-
1162
-
3'-AMP
3'-AMP
ME726779
41211
C01267
1245
-
azelate (C9-DC)
Azelaic acid
ME726803
2266
C08261
1276
-
hypoxanthine
Hypoxanthine
ME726838
-
C00262
1291.2
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME726789
127
C00642
1361
-
3-(4-hydroxyphenyl)lactate (HPLA)
4-Hydroxyphenyllactic acid
ME726778
9378
C03672
1379
-
biopterin
Biopterin
ME726808
445040
C06313
1398
-
NAD+
NAD
ME726862
5892
C00006
1434
-
CoA
Coenzyme A
ME726813
87642
C00010
1448
-
uridine
Uridine
ME726903
6029
C00299
1457.6
-
2'-AMP
Adenosine 2'-phosphate
ME726754
94136
C00946
1497.7
-
N-formylmethionine
N-Formylmethionine
ME726866
439750
C03145
1543.8
-
2'-deoxyuridine
Deoxyuridine
ME726759
13712
C00526
1586
-
phosphopantetheine
Pantetheine 4'-phosphate
ME726882
987
C01134
1597
-
inosine
Inosine
ME726840
6021
C00294
1602.1
-
tyrosylglycine
Tyr-Gly
ME726901
7021854
-
1635
-
thymine
Thymine
ME726898
1135
C00178
1654
-
pyridoxine (Vitamin B6)
Pyridoxine
ME726889
1054
D08454
1657
-
guanosine
Guanosine
ME726830
6802
C00387
1662
-
2'-deoxyinosine
Deoxyinosine
ME726758
135398593
C05512
1688
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME726790
979
C01179
1690
-
acetyl-CoA
Acetyl-CoA
ME726797
444493
C00024
1691
-
2'-deoxyguanosine
Deoxyguanosine
ME726757
135398592
C00330
1700
-
N-acetylvaline
N-Acetylvaline
ME726861
66789
-
1704
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME726783
151492
-
1725
-
benzoate
Benzoic acid
ME726805
243
C00180
1750
-
5-methyluridine (ribothymidine)
Ribothymidine
ME726795
445408
-
1778.1
-
N-acetylmethionine
N-Acetylmethionine
ME726858
448580
C02712
1787
-
5-methyltetrahydrofolate (5MeTHF)
5-Methyl-THF
ME726794
3729
C00440
1820
-
2'-O-methyluridine
2'-O-Methyluridine
ME726772
102212
-
1831
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME726890
439155
C00021
1832.4
-
catechol sulfate
Catechol sulfate
ME726811
3083879
-
1906
-
adenosine 3',5'-cyclic monophosphate (cAMP)
3',5' cyclic AMP
ME726799
6076
C00575
1952.2
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME726827
3989307
-
1960
-
thymidine
Thymidine
ME726897
5789
C00214
1963.7
-
isoleucylglycine
Ile-Gly
ME726842
342532
-
1992
-
N-formylkynurenine
N-Formyl-L-kynurenine
ME726865
910
C02700,C02406,C15605
2000
-
1-carboxyethylvaline
1-Carboxyethylvaline
ME726732
-
-
2008
-
3'-dephosphocoenzyme A
3'-Dephospho-CoA
ME726781
444485
C00882
2013
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME726787
-
C00671,C06008,C03465
2064.2
-
hippurate
Hippuric acid
ME726836
464
C01586
2106.9
-
phenol sulfate
Phenyl hydrogen sulfate
ME726879
74426
C02180
2156
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME726853
161466
-
2164
-
4-methyl-2-oxopentanoate
Ketoleucine
ME726791
70
C00233
2170
-
pyridoxate
4-Pyridoxic acid
ME726888
6723
C00847
2185
-
phenyllactate (PLA)
Phenyllactic acid
ME726880
3848
C05607
2208
-
indolelactate
Indolelactic acid
ME726839
92904
C02043
2286
-
3'-dephospho-acetyl-CoA
-
ME726780
193680
-
2313
-
N-acetylleucine
N-Acetylleucine
ME726857
70912
C02710
2400
-
FAD
FAD
ME726826
643975
C00016
2425
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME726859
74839
C03519
2597
-
1-carboxyethylisoleucine
1-Carboxyethylisoleucine
ME726729
-
-
2628
-
1-carboxyethylleucine
1-Carboxyethylleucine
ME726730
-
-
2663
-
4-methylcatechol sulfate
-
ME726792
54104170
-
2665
-
caproate (6:0)
Caproic acid
ME726809
8892
C01585
2713.7
-
pantetheine
Pantetheine
ME726875
439322
C00831
2765
-
1-carboxyethylphenylalanine
1-Carboxyethylphenylalanine
ME726731
59100900
-
2844
-
4-chlorobenzoic acid
4-Chlorobenzoic acid
ME726788
6318
C02370
3015
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME726785
26613
C20793
3446
-
phenol red
Phenolsulfonphthalein
ME726878
4766
C12600
3665.9
-
heptanoate (7:0)
Heptylic acid
ME726833
8094
C17714
3670
-
penicillin G
Penicillin G
ME726876
5904
C05551
3855
-
tetradecanedioate (C14)
Tetradecanedioic acid
ME726896
13185
-
3985
-
caprylate (8:0)
Caprylic acid
ME726810
379
C06423
4362
-
thymol sulfate
-
ME726899
12456386
C09908
4410
-
prostaglandin E2
PGE2
ME726884
5280360
C00584,DG00448,D00079
4573
-
hexadecanedioate (C16)
Hexadecanedioic acid
ME726835
10459
C19615
4615
-
prostaglandin F2alpha
PGF2alpha
ME726885
5283078
C00639
4658
-
octadecenedioate (C18:1-DC)
-
ME726870
9543674
-
4875
-
dexamethasone
Dexamethasone
ME726815
5743
C15643,D00292
4974
-
dodecadienoate (12:2)*
Dodecadienoic acid
ME726822
25480
-
5146
-
12-HHTrE
12S-HHTrE
ME726723
5283141
C20388
5175
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME726784
94216
-
5175
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME726793
5312378
-
5224
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME726829
12544
C05466
5236.1
-
16-hydroxypalmitate
Juniperic acid
ME726725
10466
C18218
5236.2
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME726895
387316
C05465
5250
-
13-HODE + 9-HODE
HODE
ME726724
-
C14767,C14762
5275
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME726806
189741
C20775
530
-
myristoleate (14:1n5)
Myristoleic acid
ME726851
5281119
C08322
5346.9
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME726834
13932172
-
5398
-
myristate (14:0)
Myristic acid
ME726850
11005
C06424
5440
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME726823
446284
C06428
5450
-
linolenate (18:3n3 or 3n6)
Octadecatrienoic acid
ME726844
-
C06426,C06427
5450
-
palmitoleate (16:1n7)
Palmitoleic acid
ME726874
445638
C08362
5475
-
1-linoleoyl-GPI* (18:2)*
LPI 18:2/0:0
ME726739
11124828
-
5494
-
Isobar: hexose diphosphates
Fructose 1,6-bisphosphate
ME726841
-
C05378,C00354,C01231
551
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME726766
-
-
5511.2
-
heneicosapentaenoate (21:5n3)
6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid
ME726831
11998573
-
5514
-
pentadecanoate (15:0)
Pentadecylic acid
ME726877
13849
C16537
5521
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME726819
445580
C06429
5525
-
linoleate (18:2n6)
Linoleic acid
ME726843
5280450
C01595
5535
-
2,3-diphosphoglycerate
2,3-Diphosphoglyceric acid
ME726752
186004
C01159
555
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME726721
5312435
-
5555
-
2-hydroxyoleate
2-Hydroxyoleic acid
ME726765
9796304
-
5560
-
1-palmitoyl-GPI* (16:0)
LPI 16:0/0:0
ME726747
71296207
-
5564
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME726746
3300276
-
5570
-
docosapentaenoate (DPA; 22:5n3)
DPA
ME726820
6441454
C16513
5571
-
1-palmitoyl-GPS (16:0)*
LPS 16:0/0:0
ME726748
9547100
-
5572
-
dihomolinolenate (20:3n3 or 3n6)
Eicosatrienoic acid
ME726817
5280581
C03242
5596
-
adenylosuccinate
Adenylsuccinic acid
ME726800
440122
C03794
560
-
palmitate (16:0)
Palmitic acid
ME726873
985
C00249
5618
-
mead acid (20:3n9)
ETrE(5Z,8Z,11Z)
ME726848
5312531
-
5650
-
oleate/vaccenate (18:1)
Oleic acid
ME726871
-
C01712,C08367,C00712,C21944
5655
-
nisinate (24:6n3)
THA
ME726867
11792612
-
5657
-
3-hydroxystearate
3-Hydroxystearic acid
ME726786
5282907
-
5674
-
adrenate (22:4n6)
Adrenic acid
ME726801
-
C16527
5678
-
(14 or 15)-methylpalmitate (a17:0 or i17:0)
Methylpalmitic acid
ME726719
-
C16995
5695
-
2-hydroxystearate
2-Hydroxystearic acid
ME726767
-
C03045,C03042
5695
-
2-palmitoleoyl-GPC* (16:1)*
LPC 0:0/16:1
ME726774
122164832
-
5720
-
dihomolinoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME726816
6439848
C16525
5730
-
margarate (17:0)
Margaric acid
ME726847
10465
-
5731
-
2,4-di-tert-butylphenol
2,4-Ditert-butylphenol
ME726753
-
-
5749
-
2-methylcitrate/homocitrate
Homocitric acid
ME726769
-
C01251
575
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME726856
188803
C12270
575.3
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME726722
5312513
-
5780
-
N-stearoyltaurine
N-Stearoyl taurine
ME726869
168274
-
5782
-
aconitate [cis or trans]
cis-Aconitic acid
ME726798
-
C02341,C004174
580
-
xanthosine 5'-monophosphate (xmp)
XMP
ME726906
73323
C00655
580
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME726750
-
-
5816
-
citrate
Citric acid
ME726812
311
C00158
582
-
docosatrienoate (22:3n6)*
10Z,13Z,16Z-Docosatrienoic acid
ME726821
75955220
-
5850
-
stearate (18:0)
Stearic acid
ME726893
5281
C01530
5872
-
phosphoenolpyruvate (PEP)
Phosphoenolpyruvic acid
ME726881
1005
C00074
587.3
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME726727
42607465
-
5874
-
UDP-glucuronate
UDP-glucuronic acid
ME726902
17473
C00167
588
-
2-eicosapentaenoylglycerol (20:5)*
MG 0:0/20:5/0:0
ME726761
11660820
-
5943
-
eicosenoate (20:1n9 or 1n11)
cis-Gondoic acid
ME726824
-
C16526
5950
-
2-hydroxyarachidate*
2-Hydroxyeicosanoic acid
ME726763
5225199
-
5990
-
(16 or 17)-methylstearate (a19:0 or i19:0)
Methyloctadecanoic acid
ME726720
3083779
-
5993
-
uridine 5'-diphosphate (UDP)
UDP
ME726904
6031
C00015
599.5
-
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME726891
616
C05382
599.6
-
2-palmitoleoylglycerol (16:1)*
MG 16:1
ME726773
53480960
-
6016
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME726818
5282807
C16533
6034
-
2-docosahexaenoylglycerol (22:6)*
MG 22:6
ME726760
46896303
-
6050
-
nonadecanoate (19:0)
Nonadecenoic acid
ME726868
12591
C16535
6068
-
1-arachidonoyl-GPC* (20:4)*
LPC 20:4/0:0
ME726726
24779476
C05208
6074
-
1-eicosapentaenoylglycerol (20:5)*
MG 20:5
ME726735
53480988
-
6088
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME726744
-
-
6094
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME726734
53480995
-
6150
-
linoleoyl ethanolamide
Linoleoyl-EA
ME726845
5283446
-
6150
-
malate
Malic acid
ME726846
525
C00497,C00149,C00711
615.6
-
sulfate*
Sulfate
ME726894
5152822
C00059
616
-
2-arachidonoylglycerol (20:4)
MG 20:4
ME726755
5282280
C13856
6170
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME726749
190750
-
6200
-
1-linolenoylglycerol (18:3)
MG 18:3
ME726737
53480978
-
6214
-
2-palmitoyl-GPC* (16:0)*
LPC 0:0/16:0
ME726776
15061532
-
6215
-
2-myristoylglycerol (14:0)
MG 0:0/14:0/0:0
ME726770
137938
-
6230
-
arachidate (20:0)
Arachidic acid
ME726802
10467
C06425
6240
-
1-arachidonylglycerol (20:4)
MG 20:4
ME726728
-
C13857
6250
-
2-linoleoylglycerol (18:2)
MG 18:2
ME726768
5365676
-
6250
-
2-heptadecenoylglycerol (17:1)*
MG 0:0/17:1/0:0
ME726762
-
-
6284
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME726777
-
-
6350
-
1-myristoylglycerol (14:0)
MG 16:3
ME726742
10957631
C01885
6353.3
-
erucate (22:1n9)
cis-Erucic acid
ME726825
-
C08316
6355.6
-
cysteine sulfinic acid
3-Sulfino-alanine
ME726814
109
C00606
637.5
-
2-hydroxybehenate
2-Hydroxy behenic acid
ME726764
193484
-
6384
-
1-heptadecenoylglycerol (17:1)*
MG 17:1/0:0/0:0
ME726736
-
-
6390
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME726733
-
-
6400
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME726775
123409
-
6400
-
1-meadoylglycerol (20:3n9)*
MG 20:3/0:0/0:0
ME726741
-
-
6450
-
1-linoleoylglycerol (18:2)
MG 18:2
ME726738
5283469
-
6477
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME726771
5319879
-
6500
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME726745
14900
-
6550
-
1-margaroylglycerol (17:0)
MG 17:0
ME726740
107036
-
6571
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME726743
5283468
-
6650
-
behenate (22:0)*
Behenic acid
ME726804
8215
C08281
6745
-
nervonate (24:1n9)*
Nervonic acid
ME726864
5281120
C08323
6804
-
5-oxoproline
Pyroglutamic acid
ME726796
-
C01879,C02237
738.5
-
histidine
Histidine
ME726837
6274
C00135
755.9
-
glycerol
Glycerol
ME726828
753
C00116
758
-
N-acetylthreonine
N-Acetylthreonine
ME726860
152204
-
821.6
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME726863
9920500
C00437
858
-
N-acetylalanine
N-Acetylalanine
ME726855
88064
C02847
861
-
S-methylcysteine
Methylcysteine
ME726892
-
-
880
-
TMP
TMP
ME726900
9700
C00364
883
-
N6-succinyladenosine
Succinyladenosine
ME726854
165243
-
940
-
pyridoxal phosphate
Pyridoxal 5'-phosphate
ME726887
1051
C00018
943
-
propionylglycine (C3)
Propionylglycine
ME726883
98681
-
960
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME726782
188979
-
975
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME726872
514186
-
990
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME726928
99823
-
1052
-
N-acetyltaurine
N-Acetyltaurine
ME726972
159864
-
1249
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME726916
-
C21297,C05984
1258
-
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME726915
301941
-
1318
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME726911
86289645
-
1354
-
mevalonate
Mevalonic acid
ME726966
449
C02104
1462
-
lactate
Lactic acid
ME726957
612
C00186
1469
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME726922
-
C03197,C01089
1480
-
erythritol
Erythritol
ME726940
222285
C00503
1491
-
ribose
Ribose
ME726978
5779
C00121
1508.2
-
2-O-methylascorbic acid
2-O-Methylascorbic acid
ME726918
54726398
-
1512
-
valylglycine
Val-Gly
ME726987
136487
-
1519
-
2R,3R-dihydroxybutyrate
4-Deoxyerythronic acid
ME726919
13120901
-
1543
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME726923
11966314
C01188,C06001
1619
-
orotate
Orotic acid
ME726973
967
C00295
1638.1
-
2S,3R-dihydroxybutyrate
4-Deoxythreonic acid
ME726920
10964471
-
1660
-
allantoin
Allantoin
ME726927
-
C02350,C02348,C01551
1672
-
ribitol
Ribitol
ME726976
6912
C00532,C01904,C00474,C00379
1789.6
-
dihydroorotate
4,5-Dihydroorotic acid
ME726939
648
C00337
1910
-
alpha-ketoglutaramate*
2-Keto-glutaramic acid
ME726929
48
C00940
1916
-
arabitol/xylitol
Arabitol
ME726931
-
C00542,C01904,C00379
1932.4
-
N-acetylserine
N-Acetylserine
ME726971
65249
-
2000
-
fructose
Fructose
ME726943
2723872
C00095
2065
-
glycerate
Glyceric acid
ME726952
-
C00258
2070.4
-
erythronate*
Erythronic acid
ME726941
2781043
-
2186
-
mannose
Mannose
ME726963
-
C00159,C02209,C00936
2200
-
orotidine
Orotidine
ME726974
92751
-
2250
-
sedoheptulose
Glucoheptulose
ME726979
5459879
C02076
2255
-
cysteine s-sulfate
Cysteine-S-sulfate
ME726937
115015
C05824
2273
-
mannitol/sorbitol
Sorbitol
ME726961
-
C00392,C00794
2320
-
glucose
Glucose
ME726949
5793
C00031
2342
-
lyxonate
D-Lyxonic acid
ME726958
-
-
2350
-
galactitol (dulcitol)
Galactitol
ME726945
11850
C01697
2360
-
threonate
Threonic acid
ME726982
-
C01620
2384
-
ribonate
Ribonic acid
ME726977
5460677
C01685
2425
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME726953
54575349
C03274
2430
-
galactosylglycerol
Galactosylglycerol
ME726947
16048618
C05401
2518
-
suberate (C8-DC)
Suberic acid
ME726980
10457
C08278
2577.6
-
maleate
Maleic acid
ME726959
444266
C01384
2640
-
pyruvate
Pyruvic acid
ME726975
1060
C00022
2650
-
3-methylglutaconate
3E-Methylglutaconic acid
ME726925
1551553
-
2700
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME726930
51
C00026
2700
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME726932
-
C00502,C05411
2700
-
mannonate*
Mannonic acid
ME726962
3246006
-
2736
-
gulonate*
Gulonic acid
ME726955
152304
C00800
2750
-
ethylmalonate
Ethylmalonic acid
ME726942
11756
-
2785
-
methylsuccinate
Methylsuccinic acid
ME726965
10349
-
2800
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME726921
-
C03761
2850
-
3-sulfo-L-alanine
Cysteic acid
ME726926
72886
C00506
2890
-
glutarate (C5-DC)
Glutaric acid
ME726951
-
C00489
2900
-
gluconate
Gluconic acid
ME726948
-
C00257
2922
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME726970
439197
C00270
3072.6
-
methylmalonate (MMA)
Methylmalonic acid
ME726964
487
C02170
3078.4
-
fumarate
Fumaric acid
ME726944
444972
C00122
3084
-
galactonate
Galactonic acid
ME726946
-
C15930,C00880
3085
-
succinate
Succinic acid
ME726981
1110
C00042
3149
-
glucuronate
Glucuronic acid
ME726950
-
C16245
3233.3
-
maltose
Maltose
ME726960
10991489
C00208
3329.4
-
myo-inositol
Myo-inositol
ME726967
892
C00137
3506.3
-
UDP-N-acetylglucosamine/galactosamine
UDP-N-acetylhexosamine
ME726985
-
C00203,C00043
3665
-
uridine 3'-monophosphate (3'-UMP)
3'-UMP
ME726986
101543
C01368
3800
-
creatine phosphate
Phosphocreatine
ME726936
-
C02305
3831
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME726954
167572
-
3850
-
cytidine 5'-monophospho-N-acetylneuraminic acid
CMP-N-acetylneuraminic acid
ME726938
448209
C00128
3900
-
UDP-glucose
UDP-glucose
ME726984
8629
C00029
3950
-
UDP-galactose
UDP-galactose
ME726983
18068
C00052
4000
-
N-acetyl-glucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME726968
440364
C04256
4052
-
N-acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME726969
439219
C00357
4114
-
CDP-choline
CDP-choline
ME726933
13804
C00307
4200
-
CDP-ethanolamine
CDP-Ethanolamine
ME726934
123727
C00570
4210
-
inositol 1-phosphate (I1P)
Inositol 3-phosphate
ME726956
440194
C01177
4785
-
cholesterol sulfate
Cholesterol sulfate
ME726935
65076
C18043
681
-
2-hydroxynervonate*
Hydroxynervonic acid
ME726917
5312783
-
714
-
1,2-dioleoyl-GPG (18:1/18:1)
PG 18:1/18:1
ME726907
11846228
-
715
-
1-stearoyl-2-oleoyl-GPG (18:0/18:1)
PG 18:0/18:1
ME726914
24779551
-
717
-
1-palmitoyl-2-oleoyl-GPG (16:0/18:1)
PG 16:0/18:1
ME726913
70789105
-
745
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME726909
16081932
C03916
900
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME726924
49
C00141
911
-
1,2-dioleoyl-GPI (18:1/18:1)
PI 18:1/18:1
ME726908
5771759
-
913
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME726910
9547071
-
925
-
1-palmitoleoyl-GPC* (16:1)*
LPC 16:1/0:0
ME726912
24779461
-
928
-
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