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Return to study ST001304 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
NAD+
NAD
ME304646
-
C00003
14.29489833
-
NADPH
NADPH
ME304648
-
C00005
17.13797607
-
NADP+
NADP
ME304647
-
C00006
16.83612685
-
ADP
ADP
ME304489
-
C00008
15.28347778
-
FAD
FAD
ME304661
-
C00016
11.55435873
-
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME304579
-
C00019
16.35644212
-
AMP
AMP
ME304485
-
C00020
13.9146945
-
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME304563
-
C00021
13.69357552
-
L-Glutamate
Glutamic acid
ME304765
-
C00025
14.84051409
-
GDP
GDP
ME304490
-
C00035
18.00257152
-
L-Alanine
Alanine
ME304687
-
C00041
14.87567838
-
GTP
GTP
ME304494
-
C00044
19.47603188
-
L-Lysine
Lysine
ME304787
-
C00047
22.48779297
-
Glutathione
Glutathione
ME304498
-
C00051
14.47154879
-
CMP
CMP
ME304866
-
C00055
15.95399441
-
FMN
FMN
ME304613
-
C00061
11.66444504
-
L-Arginine
Arginine
ME304788
-
C00062
23.34054048
-
CTP
CTP
ME304874
-
C00063
18.50177002
-
L-Glutamine
Glutamine
ME304735
-
C00064
15.16381956
-
L-Serine
Serine
ME304688
-
C00065
15.87772368
-
L-Methionine
Methionine
ME304739
-
C00073
11.67046116
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME304684
-
C00074
17.57378569
-
L-Ornithine
Ornithine
ME304744
-
C00077
21.80761632
-
L-Tryptophan
Tryptophan
ME304512
-
C00078
11.73531724
-
L-Phenylalanine
Phenylalanine
ME304857
-
C00079
10.38066409
-
L-Tyrosine
Tyrosine
ME304858
-
C00082
13.09728637
-
GDP-mannose
GDP-mannose
ME304594
-
C00096
18.20872212
-
Choline
Choline
ME304747
-
C00114
19.59035349
-
L-Leucine
Leucine
ME304783
-
C00123
11.37332566
-
Glutathione disulfide
Oxidized glutathione
ME304643
-
C00127
17.47884909
-
GMP
GMP
ME304486
-
C00144
16.79643652
-
Adenine
Adenine
ME304752
-
C00147
9.743547567
-
L-Proline
Proline
ME304763
-
C00148
12.93837878
-
L-Asparagine
Asparagine
ME304728
-
C00152
15.34094603
-
Nicotinamide
Niacinamide
ME304794
-
C00153
7.858878766
-
PC(32:1)
PC 32:1
ME304692
-
C00157
4.847166661
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME304519
-
C00170
7.800057959
-
L-Valine
Valine
ME304738
-
C00183
12.50538438
-
L-Threonine
Threonine
ME304732
-
C00188
14.56049943
-
Adenosine
Adenosine
ME304481
-
C00212
9.301673816
-
Acetyl phosphate
Acetylphosphate
ME304667
-
C00227
16.32926665
-
Guanine
Guanine
ME304753
-
C00242
12.47706669
-
Nicotinate
Nicotinic acid
ME304793
-
C00253
8.01049792
-
Riboflavin
Riboflavin
ME304612
-
C00255
8.83577278
-
Hypoxanthine
Hypoxanthine
ME304750
-
C00262
10.36909292
-
Dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME304862
-
C00268
12.74952068
-
Inosine
Inosine
ME304478
-
C00294
11.08742458
-
Quinate
Quinic acid
ME304813
-
C00296
13.39915239
-
Uridine
Uridine
ME304859
-
C00299
10.06077542
-
Creatine
Creatine
ME304730
-
C00300
14.77222984
-
CDP-choline
CDP-choline
ME304572
-
C00307
15.47555629
-
Pyridoxine
Pyridoxine
ME304828
-
C00314
8.337857056
-
[SP] Sphing-4-enine
Sphingosine
ME304626
-
C00319
7.856081814
-
L-Citrulline
Citrulline
ME304782
-
C00327
16.0041495
-
D-Glucosamine
Glucosamine
ME304785
-
C00329
14.66215558
-
4-Aminobutanoate
gamma-Aminobutyric acid
ME304731
-
C00334
15.47207534
-
Ethanolamine phosphate
Phosphoethanolamine
ME304669
-
C00346
16.06685636
-
PE(36:2)
PE 36:2
ME304694
-
C00350
4.763920431
-
PE(P-34:1)
PE P-34:1
ME304682
-
C00350
5.302752419
-
dAMP
dAMP
ME304484
-
C00360
12.99000162
-
dTMP
dTMP
ME304487
-
C00364
13.11776094
-
Thiamin
Thiamine
ME304539
-
C00378
19.89656191
-
Guanosine
Guanosine
ME304482
-
C00387
12.76581823
-
Mannitol
Mannitol
ME304789
-
C00392
13.949898
-
L-Pipecolate
Pipecolic acid
ME304770
-
C00408
21.33151011
-
N-Formimino-L-glutamate
Formiminoglutamic acid
ME304767
-
C00439
12.25049061
-
Nicotinamide D-ribonucleotide
Nicotinamide ribotide
ME304518
-
C00455
15.36371668
-
Indole
Indole
ME304853
-
C00463
10.36151709
-
Ribitol
Ribitol
ME304746
-
C00474
13.09251777
-
Cytidine
Cytidine
ME304861
-
C00475
12.06935438
-
L-Carnitine
Carnitine
ME304822
-
C00487
13.43166833
-
L-Cystine
Cystine
ME304779
-
C00491
16.35067406
-
Folate
Folic acid
ME304631
-
C00504
16.76204538
-
Hypotaurine
Hypotaurine
ME304668
-
C00519
15.09485081
-
p-Benzenediol
Hydroquinone
ME304796
-
C00530
14.03220156
-
SM(d40:1)
SM 40:1;O2
ME304708
-
C00550
7.693251595
-
SM(d42:1)
SM 42:1;O2
ME304714
-
C00550
7.621743011
-
SM(d42:2)
SM 42:2;O2
ME304713
-
C00550
7.604086497
-
3',5'-Cyclic AMP
3',5' cyclic AMP
ME304479
-
C00575
9.692248438
-
Betaine aldehyde
Betaine aldehyde
ME304737
-
C00576
28.27145953
-
Guanidinoacetate
Guanidoacetic acid
ME304686
-
C00581
15.87993891
-
Choline phosphate
Choline phosphate
ME304748
-
C00588
15.02221816
-
N-Acetyllactosamine
N-Acetyllactosamine
ME304570
-
C00611
13.89624217
-
N-Acetyl-L-glutamate
N-Acetylglutamic acid
ME304809
-
C00624
14.15315149
-
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME304513
-
C00643
10.74574253
-
D-Mannitol 1-phosphate
Mannitol 1-phosphate
ME304792
-
C00644
16.08804917
-
N-Acetyl-D-mannosamine
N-Acetyl-mannosamine
ME304841
-
C00645
11.95702374
-
4-Methylene-L-glutamate
-
ME304803
-
C00651
13.07817978
-
Xanthosine 5'-phosphate
XMP
ME304480
-
C00655
17.99543641
-
LL-2,6-Diaminoheptanedioate
2,6-Diaminopimelic acid
ME304818
-
C00666
14.25910065
-
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME304838
-
C00669
14.26471432
-
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME304852
-
C00670
14.50725403
-
Urocanate
Urocanic acid
ME304795
-
C00785
10.97679046
-
Creatinine
Creatinine
ME304725
-
C00791
9.93103237
-
Sphinganine
Sphinganine
ME304627
-
C00836
7.816680932
-
Pantothenate
Pantothenic acid
ME304878
-
C00864
8.940258142
-
Cinnamaldehyde
Cinnamaldehyde
ME304892
-
C00903
4.370561273
-
5,6-Dihydrothymine
Dihydrothymine
ME304762
-
C00906
14.89193784
-
2,3-Dimethylmaleate
Dimethyl maleate
ME304800
-
C00922
14.61372211
-
2-Oxoglutaramate
2-Keto-glutaramic acid
ME304761
-
C00940
8.742396884
-
L-2-Aminoadipate
alpha-Aminoadipic acid
ME304772
-
C00956
11.17559247
-
4-Pyridoxolactone
4-Pyridoxolactone
ME304854
-
C00971
10.27497768
-
N-Acetylserotonin
N-Acetylserotonin
ME304538
-
C00978
5.310801049
-
Urea-1-carboxylate
-
ME304665
-
C01010
27.89295451
-
Thiamin monophosphate
Thiamine monophosphate
ME304541
-
C01081
14.36031111
-
O-Phospho-L-homoserine
O-Phosphohomoserine
ME304720
-
C01102
15.79713653
-
4-Methylene-L-glutamine
4-Methylene-glutamine
ME304766
-
C01109
9.182177979
-
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME304834
-
C01118
13.9382805
-
L-Glutamate 5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME304764
-
C01165
9.011207627
-
2-(Acetamidomethylene)succinate
-
ME304826
-
C01215
12.99585871
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME304749
-
C01233
15.75315561
-
D-Glucono-1,5-lactone 6-phosphate
6-Phosphonoglucono-D-lactone
ME304777
-
C01236
17.78015892
-
Arg-OEt
Ethyl arginate
ME304850
-
C01404
20.96746917
-
Glu-Glu
Glu-Glu
ME304493
-
C01425
16.85830156
-
Octylamine
Octylamine
ME304851
-
C01740
7.863447478
-
Piperidine
Piperidine
ME304736
-
C01746
14.6019944
-
2-Butenoate
Crotonic acid
ME304724
-
C01771
15.58354246
-
Leu-Gly-Pro
Leu-Gly-Pro
ME304555
-
C01833
13.79749843
-
5-Oxoproline
Pyroglutamic acid
ME304760
-
C01879
14.99386455
-
Dethiobiotin
Dethiobiotin
ME304502
-
C01909
10.28535471
-
Homoarginine
Homoarginine
ME304823
-
C01924
22.06863208
-
Acetylcholine
Acetylcholine
ME304821
-
C01996
13.48208468
-
3-Methylguanine
3-Methylguanine
ME304797
-
C02230
12.82301309
-
L-Cystathionine
Cystathionine
ME304819
-
C02291
17.15618238
-
Cinnamyl alcohol
Cinnamyl alcohol
ME304856
-
C02394
4.326041421
-
3-Cyano-L-alanine
Dihydrouracil
ME304722
-
C02512
28.08184851
-
O-Acetylcarnitine
CAR 2:0
ME304877
-
C02571
11.17577576
-
Tolylacetonitrile
-
ME304893
-
C02596
11.74370128
-
L-Formylkynurenine
N-Formyl-L-kynurenine
ME304514
-
C02700
12.15135067
-
N-Acetylmethionine
N-Acetylmethionine
ME304815
-
C02712
11.9083539
-
N-Formiminoglycine
N-Formimidoylglycine
ME304685
-
C02718
12.40395676
-
L-Lysine 1,6-lactam
L-2-aminohexano-6-lactam
ME304778
-
C02837
12.73377877
-
O-Butanoylcarnitine
CAR 4:0
ME304535
-
C02862
8.97243939
-
1-Methylnicotinamide
1-Methyl nicotinamide
ME304825
-
C02918
22.64907139
-
2-Aminobutan-4-olide
Homoserine lactone
ME304726
-
C02926
8.872240425
-
L-Methionine S-oxide
Methionine sulfoxide
ME304741
-
C02989
13.46260071
-
N-Caffeoylputrescine
N-Caffeoylputrescine
ME304551
-
C03002
11.86533973
-
O-Propanoylcarnitine
CAR 3:0
ME304507
-
C03017
9.936048535
-
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME304814
-
C03087
13.05740606
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME304666
-
C03167
15.11442537
-
Pyrimidine nucleoside
Pyrimidine nucleoside
ME304864
-
C03169
9.126287888
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME304791
-
C03274
12.78105551
-
(Ac)2-L-Lys-D-Ala-D-Ala
(Ac)2-L-Lysyl-D-alanyl-D-alanine
ME304599
-
C03326
14.38736504
-
2-Ethylhexyl phthalate
Monoethylhexyl phthalic acid
ME304592
-
C03343
4.195223236
-
N2-Succinyl-L-ornithine
N2-Succinylornithine
ME304872
-
C03415
14.66623424
-
Bis-gamma-glutamylcystine
Bis-gamma-glutamylcystine
ME304596
-
C03646
17.81219037
-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
(S)-5-Amino-3-oxohexanoate
ME304771
-
C03656
9.38631712
-
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME304799
-
C03680
11.33768325
-
2-Amino-2-deoxy-D-gluconate
Glucosaminic acid
ME304786
-
C03752
17.12609985
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME304889
-
C03793
21.29290734
-
N6-(1,2-Dicarboxyethyl)-AMP
Adenylsuccinic acid
ME304562
-
C03794
18.26696826
-
6-Acetamido-3-aminohexanoate
-
ME304842
-
C03846
10.70346406
-
(24R,24'R)-Fucosterol epoxide
(3beta,24R,24'R)-Fucosterol epoxide
ME304664
-
C03910
3.985552149
-
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME304758
-
C03912
13.24390209
-
2-(Methylthio)ethanesulfonate
Methyl-CoM
ME304689
-
C03920
8.82028329
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME304843
-
C03955
11.05133882
-
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME304882
-
C04020
12.16730369
-
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME304776
-
C04299
16.86872472
-
N-Succinyl-LL-2,6-diaminoheptanedioate
N-Succinyl-L,L-2,6-diaminopimelate
ME304526
-
C04421
12.89996512
-
3,4-Dehydrothiomorpholine-3-carboxylate
-
ME304759
-
C04445
7.928992957
-
3,3',4',5,7-Pentahydroxy-8-methoxyflavone
Corniculatusin
ME304591
-
C04527
14.61932853
-
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME304527
-
C04544
11.0782536
-
Imidazole-4-acetaldehyde
Imidazole-4-acetaldehyde
ME304755
-
C05130
7.727199994
-
(1-Ribosylimidazole)-4-acetate
Imidazoleacetic acid riboside
ME304483
-
C05131
12.91042146
-
5-methyl-barbiturate
-
ME304756
-
C05281
12.79405427
-
Gamma-Glutamylglutamine
gamma-Glutamylglutamine
ME304497
-
C05283
15.33916539
-
beta-Alanyl-L-arginine
beta-Alanyl-L-arginine
ME304885
-
C05340
16.38086427
-
Ne,Ne dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME304848
-
C05545
20.89784924
-
4,8-Dihydroxyquinoline
Quinoline-4,8-diol
ME304891
-
C05637
12.14160258
-
5-Hydroxy-N-formylkynurenine
5-Hydroxy-N-formylkynurenine
ME304515
-
C05648
8.471133253
-
CMP-N-trimethyl-2-aminoethylphosphonate
CMP-2-trimethylaminoethylphosphonate
ME304571
-
C05674
14.52096979
-
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME304873
-
C05695
16.33001031
-
N-Carbamyl-L-glutamate
Carglumic acid
ME304768
-
C05829
16.64296667
-
Nicotinate D-ribonucleoside
D-Ribosylnicotinate
ME304516
-
C05841
13.22751673
-
Phenylethyl alcohol
2-Phenylethanol
ME304827
-
C05853
4.824064128
-
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME304863
-
C05931
17.45358712
-
Pyrrole-2-carboxylate
Pyrrole-2-carboxylic acid
ME304754
-
C05942
10.91767948
-
4-Hydroxy-4-methylglutamate
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME304774
-
C06034
13.19698842
-
3-Butynoate
3-Butynoic acid
ME304721
-
C06144
8.475461098
-
Slaframine
Slaframine
ME304544
-
C06185
10.24151969
-
1(2H)-Isoquinolinone
-
ME304890
-
C06324
8.675322187
-
4-Quinolinecarboxylic acid
4-Quinolinecarboxylic acid
ME304511
-
C06414
5.030222236
-
Neuraminic acid
Neuraminic acid
ME304880
-
C06469
16.95321423
-
Muramic acid
Muramic acid
ME304879
-
C06470
15.94513327
-
L-N2-(2-Carboxyethyl)arginine
-
ME304883
-
C06655
11.90465363
-
Thienamycin
-
ME304520
-
C06664
12.87662218
-
Valclavam
Valclavam
ME304565
-
C06668
8.311891271
-
Triethanolamine
Triethanolamine
ME304790
-
C06771
9.651402976
-
Methacholine
Methacholine
ME304847
-
C07471
13.48865003
-
Muscarine
-
ME304887
-
C07473
27.92042927
-
O-Oxalylhomoserine
-
ME304805
-
C08294
17.8537618
-
Convicine
Convicine
ME304488
-
C08430
17.49491248
-
(-)-Jasmonic acid
Jasmonic acid
ME304542
-
C08491
4.556485852
-
Cavinine
-
ME304618
-
C08524
15.57135315
-
gamma-Undecalactone
gamma-Undecalactone
ME304530
-
C08571
4.402825419
-
Calystegin B2
Calystegin B2
ME304816
-
C10851
12.86685708
-
5-Hydroxyconiferaldehyde
5-Hydroxyconiferaldehyde
ME304476
-
C12204
5.052293057
-
N-Acetyl-aspartyl-glutamate
N-Acetyl-Asp-Glu
ME304521
-
C12270
16.72084113
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME304630
-
C12600
5.231999334
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME304833
-
C12986
11.98816664
-
N2-Acetyl-L-aminoadipyl-delta-phosphate
-
ME304840
-
C12987
17.06167477
-
ZAPA
ZAPA
ME304723
-
C13695
13.73058548
-
Octadecanamide
Stearamide
ME304625
-
C13846
7.957377239
-
1-O-Hexadecyl-sn-glycerol
MG O-16:0
ME304637
-
C13859
4.286183312
-
Hexadecasphinganine
C16 Sphinganine
ME304611
-
C13915
7.827953181
-
Furfural
2-Furancarboxaldehyde
ME304751
-
C14279
14.93411108
-
Furfural diethyl acetal
-
ME304869
-
C14280
4.616659608
-
alpha-Methylstyrene
-
ME304855
-
C14395
4.298429786
-
Tributyl phosphate
Tributyl phosphate
ME304550
-
C14439
4.126783352
-
Tris(butoxyethyl)phosphate
-
ME304628
-
C14446
4.100707576
-
gamma-L-Glutamylputrescine
gamma-Glutamylputrescine
ME304884
-
C15699
16.43143499
-
deacetylcolchicine
-
ME304639
-
C16712
15.18153517
-
flaviolin
Flaviolin
ME304510
-
C18012
15.71420559
-
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...
-
ME304681
-
-
3.888723779
-
1-Methyl-2-pyrrolecarboxaldehyde
-
ME304798
-
-
5.142409643
-
(1R,4S)-fenchan-2-one
-
ME304495
-
-
4.300907754
-
2,3-Epoxymenaquinone
-
ME304645
-
-
9.339995413
-
2-(Arabinosylamino)-3-(glucosylamino)propanenitril...
-
ME304569
-
-
14.03557541
-
2-chloro-3-methyl-maleylacetate
-
ME304824
-
-
16.93638892
-
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME304549
-
-
8.325457563
-
(±)-2-Methylthiazolidine
2-Methylthiazolidine
ME304734
-
-
10.7723674
-
2S-hydroxy-butanoic acid
2S-Hydroxybutyric acid
ME304729
-
-
5.004683346
-
3-acetyl-3-methyldihydrofuran-2(3H)-one
-
ME304808
-
-
5.163375238
-
(3R)-hydroxy-N-acetyl-(L)-arginine
-
ME304845
-
-
13.31052223
-
3Z,6Z-Eicosadiene
-
ME304644
-
-
4.28379442
-
4,8-Dimethyl-1,3E,7-nonatriene
-
ME304524
-
-
4.331139906
-
5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol
-
ME304477
-
-
4.846002833
-
5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O...
-
ME304619
-
-
15.74330177
-
5-ethyl-5-methyl-2,4-oxazolidinedione
-
ME304802
-
-
11.92536014
-
5-methylthiopentanonitrile oxide
-
ME304775
-
-
11.00177544
-
6-isobutyl-4-hydroxy-2-pyrone
-
ME304860
-
-
8.741536397
-
7,8-benzoflavone
7,8-Benzoflavone
ME304629
-
-
5.489244456
-
a Cysteine adduct
-
ME304804
-
-
15.24664064
-
Ala-Ala-Ala
Ala-Ala-Ala
ME304875
-
-
16.39686439
-
Ala-Ala-Ala-Asn
-
ME304557
-
-
14.896892
-
Ala-Ala-Asn-Gln
-
ME304585
-
-
13.82521275
-
Ala-Ala-Asn-Gly
-
ME304546
-
-
15.6992308
-
Ala-Ala-Asp-Arg
-
ME304604
-
-
15.42052385
-
Ala-Ala-Gln-Gln
-
ME304602
-
-
14.18059043
-
Ala-Asp-Arg
Ala-Asp-Arg
ME304558
-
-
15.32639674
-
Ala-Asp-Asp
Ala-Asp-Asp
ME304523
-
-
16.94924602
-
Ala-Asp-Gly-Arg
-
ME304586
-
-
15.95323171
-
Ala-Asp-Ser
Ala-Asp-Ser
ME304499
-
-
15.87424999
-
Ala-Cys-Cys-Pro
-
ME304567
-
-
15.98577537
-
Ala-Cys-Tyr-Tyr
-
ME304658
-
-
10.38984525
-
Ala-Glu-Glu-Gly
-
ME304583
-
-
16.41215321
-
Ala-Leu-Ala-Ser
-
ME304587
-
-
13.99182071
-
Ala-Leu-Asn-Gln
-
ME304622
-
-
12.10591591
-
Ala-Leu-Gly-Pro
-
ME304598
-
-
13.35172468
-
Ala-Leu-Gly-Ser
-
ME304573
-
-
14.77636108
-
Ala-Leu-Ser-Ser
-
ME304588
-
-
14.98276435
-
Ala-Leu-Val-Gly
-
ME304606
-
-
12.17395315
-
Ala-Lys-Ala-Asn
-
ME304607
-
-
12.74177546
-
Ala-Lys-Ala-Gln
-
ME304617
-
-
11.79225561
-
Ala-Lys-Asn-Gln
-
ME304623
-
-
13.66594259
-
Ala-Lys-Asn-Gly
-
ME304589
-
-
13.70301116
-
Ala-Met-Val-Pro
-
ME304620
-
-
11.38893239
-
Alanyl-Aspartate
Ala-Asp
ME304811
-
-
10.91979703
-
Alanyl-Hydroxyproline
-
ME304836
-
-
8.598810323
-
Ala-Pro
Ala-Pro
ME304835
-
-
11.50323382
-
Ala-Thr-Asn-Gln
-
ME304603
-
-
9.341302028
-
Ala-Thr-Asp-Pro
-
ME304597
-
-
11.1629239
-
Ala-Thr-Thr-Ala
-
ME304574
-
-
15.77867698
-
alcaligin
-
ME304600
-
-
5.685810896
-
Arg-Phe-Cys-Gly
-
ME304642
-
-
10.97250553
-
Arg-Thr-Asp-Ser
-
ME304615
-
-
17.45819818
-
Asn-Asp
Asn-Asp
ME304832
-
-
15.90911734
-
Asn-Lys-Gly-Ser
-
ME304590
-
-
14.7389056
-
Asn-Met-Gln-Pro
-
ME304634
-
-
9.318053957
-
Asparaginyl-Hydroxyproline
-
ME304870
-
-
10.56992144
-
Asp-Arg
Asp-Arg
ME304506
-
-
18.26160317
-
Aspartyl-Glutamine
Asp-Gln
ME304871
-
-
11.84299995
-
Aspartyl-L-proline
Asp-Pro
ME304865
-
-
15.53031267
-
Asp-Cys-Cys-Ser
S-Glutathionyl-cysteine
ME304554
-
-
17.10038907
-
Asp-Gly-Arg
Asp-Gly-Arg
ME304547
-
-
17.76063484
-
Asp-Leu-Asp-Tyr
-
ME304654
-
-
12.83530947
-
Asp-Leu-Lys-Pro
-
ME304650
-
-
12.56390546
-
Asp-Lys-Asp-Pro
-
ME304633
-
-
11.82259933
-
Asp-Lys-Asp-Tyr
-
ME304655
-
-
10.97231666
-
Asp-Ser-Ser
Asp-Ser-Ser
ME304500
-
-
17.13030938
-
Caffeic acid 4-O-glucuronide
Caffeic acid 4-O-glucuronide
ME304578
-
-
15.86311738
-
Caproylcholine
Caproylcholine
ME304537
-
-
7.919492456
-
CAPS
-
ME304888
-
-
9.342095485
-
Caryoptosidic acid
-
ME304593
-
-
22.44564842
-
Cohibin C
-
ME304675
-
-
3.896750786
-
dihydrothymidine
5,6-Dihydrothymidine
ME304491
-
-
9.204868232
-
DL-Methionine sulfone
Methionine sulfone
ME304743
-
-
11.91821662
-
DL-β-hydroxynorvaline
-
ME304740
-
-
16.3315016
-
EPC(d34:1)
EPC 34:1;O2
ME304673
-
-
7.753551774
-
FA (14:2) tetradecadienal
-
ME304568
-
-
4.298549415
-
[FA (20:5)] N-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)...
Eicosapentenoyl-EA
ME304653
-
-
3.905978575
-
[FA (5:2)] 2,4-pentadienoic acid
beta-Vinyl acrylic acid
ME304757
-
-
13.99891669
-
[FA (7:2)] 2,4-heptadienal
-
ME304807
-
-
4.494632305
-
FA (9:2) nonadienoic acid
Nonadienoic acid
ME304868
-
-
5.098789901
-
[FA amino(14:0)] 2-amino-tetradecanoic acid
2-Aminotetradecanoic acid
ME304577
-
-
4.369489136
-
[FA oxo(19:0)] 10-oxo-nonadecanoic acid
-
ME304635
-
-
5.083372189
-
FA oxo(21:0)
-
ME304651
-
-
4.124437239
-
formiminoalanine
-
ME304727
-
-
27.98661616
-
Gammaglutamylornithine
gamma-Glutamylornithine
ME304505
-
-
16.95319039
-
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide
-
ME304525
-
-
10.9955159
-
Gamma-Glutamyltyrosine
gamma-Glutamyltyrosine
ME304561
-
-
13.91358967
-
Glu-Ala-Glu
Glu-Ala-Glu
ME304553
-
-
13.27650321
-
Glu-Arg
Glu-Arg
ME304534
-
-
15.13325152
-
Glu-Arg-Pro
Glu-Arg-Pro
ME304601
-
-
14.36942851
-
Glu-Asp-Ile
Glu-Asp-Ile
ME304584
-
-
11.58477701
-
Glu-Asp-Pro
Glu-Asp-Pro
ME304564
-
-
13.94967545
-
Glu-Asp-Val
Glu-Asp-Val
ME304566
-
-
12.36454041
-
Glucosylgalactosylhydroxylysine
Glucosylgalactosyl hydroxylysine
ME304624
-
-
21.7406746
-
Glu-Gln-Pro
Glu-Gln-Pro
ME304582
-
-
10.72514358
-
Glu-Glu-Glu
Glu-Glu-Glu
ME304580
-
-
18.05468285
-
Glu-Glu-Glu-Glu
-
ME304640
-
-
19.34972205
-
Glu-Gly-Met
Glu-Gly-Met
ME304545
-
-
10.49324116
-
Glu-Met
Glu-Met
ME304504
-
-
12.15754685
-
Glu-Met-Met-Cys
-
ME304621
-
-
14.27898811
-
Glu-Met-Ser
Glu-Met-Ser
ME304556
-
-
13.43576835
-
Glu-Thr-Pro-His
-
ME304641
-
-
14.91133253
-
Gly-Arg
Gly-Arg
ME304846
-
-
16.95500747
-
Glycyl-Asparagine
Gly-Asn
ME304769
-
-
10.41491974
-
Glycyl-Histidine
Gly-His
ME304831
-
-
9.758787891
-
Glycylproline
Gly-Pro
ME304810
-
-
12.85020291
-
Glycyrrhizaflavonol A
-
ME304638
-
-
13.38104524
-
Gonyautoxin IV
-
ME304501
-
-
16.11098836
-
HEPES
-
ME304849
-
-
10.85862276
-
Hexadeceylamin
-
ME304610
-
-
7.872821947
-
Hydroxyprolyl-Arginine
-
ME304533
-
-
14.37634122
-
Hydroxyprolyl-Histidine
-
ME304522
-
-
9.700238812
-
Ile-Ala-Gly
Ile-Ala-Gly
ME304531
-
-
14.21423887
-
Ile-Ala-Val
Ile-Ala-Val
ME304575
-
-
11.05272696
-
Ile-Arg-Gly
Ile-Arg-Gly
ME304576
-
-
21.92495233
-
Ile-Cys
Ile-Cys
ME304881
-
-
12.93290443
-
Ile-Cys-Gly
Ile-Cys-Gly
ME304532
-
-
13.87484848
-
Ile-Gly-Met
Ile-Gly-Met
ME304559
-
-
12.01637142
-
Ile-Lys-Pro
Ile-Lys-Pro
ME304616
-
-
21.03158734
-
Ile-Thr
Ile-Thr
ME304509
-
-
21.29059526
-
Ile-Val-Val
Ile-Val-Val
ME304608
-
-
15.56718246
-
Isolinderanolide
Isolinderanolide
ME304649
-
-
3.786396814
-
Isopentenyladenine-9-N-glucoside
-
ME304614
-
-
10.49691756
-
L-beta-aspartyl-L-asparticacid
-
ME304830
-
-
17.47736497
-
L-beta-aspartyl-L-leucine
-
ME304503
-
-
12.56802172
-
L-beta-aspartyl-L-serine
-
ME304812
-
-
15.94987531
-
Leu-Pro
Leu-Pro
ME304528
-
-
13.21743409
-
L-gamma-glutamyl-L-isoleucine
gamma-Glutamylisoleucine
ME304529
-
-
11.25812781
-
Lys-Asn-Gly
Lys-Asn-Gly
ME304548
-
-
14.19896667
-
LysoPE(18:0)
LPE 18:0
ME304657
-
-
7.737122175
-
LysoPE(P-16:0)
LPE P-16:0
ME304652
-
-
7.73067253
-
Lys-Val
Lys-Val
ME304536
-
-
21.8038333
-
Lys-Val-Pro
Lys-Val-Pro
ME304605
-
-
14.05829521
-
Metenamine
-
ME304780
-
-
8.554457632
-
methanofuran biosynththesis intermediate MF3
-
ME304806
-
-
15.76480289
-
Met-Phe-Val
Met-Phe-Val
ME304632
-
-
12.62987501
-
MG(0:0/16:0/0:0)
MG 0:0/16:0/0:0
ME304636
-
-
4.281136661
-
Montecristin
-
ME304674
-
-
3.877259524
-
N-(1-Deoxy-1-fructosyl)histidine
-
ME304543
-
-
12.74230952
-
N-(2-hydroxypentadecanoyl)-phytosphingosine
Cer 18:0;O3/15:0;O
ME304671
-
-
3.954294199
-
N-(2-hydroxytridecanoyl)-phytosphingosine
Cer 18:0;O3/13:0;O
ME304670
-
-
3.931562672
-
N3-hydroxyethylcytosine
-
ME304801
-
-
18.12426782
-
N-acetyl-demethylphophinothricin
-
ME304781
-
-
10.38098832
-
N-acetyl-(L)-arginine
N-Acetylarginine
ME304844
-
-
14.91304385
-
N-Heptanoylglycine
N-Heptanoylglycine
ME304876
-
-
5.260796441
-
N-hydroxy DAP
-
ME304820
-
-
12.3130857
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME304784
-
-
8.566061232
-
nicotinamide riboside
Nicotinamide riboside
ME304517
-
-
22.52851592
-
N-Lactoyl ethanolamine phosphate
-
ME304745
-
-
15.21733248
-
N,N-dihydroxyvaline
-
ME304742
-
-
11.24494135
-
Noladin Ether
MG 0:0/20:4(5Z,8Z,11Z,14Z)/0:0
ME304656
-
-
3.651586514
-
Norepinephrinesulfate
Norepinephrine sulfate
ME304829
-
-
18.90524976
-
N-Undecanoylglycine
N-Undecanoylglycine
ME304560
-
-
4.774793691
-
nva-FMDP
-
ME304552
-
-
8.861331734
-
Oxypinnatanine
-
ME304492
-
-
12.51216184
-
PA(41:5)
PA 41:5
ME304702
-
-
3.687004768
-
PA(43:6)
PA 43:6
ME304709
-
-
3.675994461
-
PC(29:1)
PC 29:1
ME304676
-
-
4.787819006
-
PC(30:1)
PC 30:1
ME304679
-
-
4.200503177
-
PC(34:2)
PC 34:2
ME304697
-
-
4.132713582
-
PC(34:3)
PC 34:3
ME304696
-
-
4.125041296
-
PC(34:4)
PC 34:4
ME304695
-
-
4.118963466
-
PC(36:2)
PC 36:2
ME304706
-
-
4.151553763
-
PC(36:4)
PC 36:4
ME304705
-
-
4.074510504
-
PC(38:4)
PC 38:4
ME304711
-
-
4.465710328
-
PC(40:4)
PC 40:4
ME304718
-
-
4.045746855
-
PC(40:5)
PC 40:5
ME304717
-
-
4.029251343
-
PE(32:0)
PE 32:0
ME304677
-
-
4.058973028
-
PE(33:0)
PE 33:0
ME304680
-
-
4.911418249
-
PE(35:2)
PE 35:2
ME304690
-
-
4.605473836
-
PE(36:3)
PE 36:3
ME304693
-
-
4.449505615
-
PE(37:1)
PE 37:1
ME304699
-
-
5.995703093
-
PE(38:2)
PE 38:2
ME304700
-
-
4.146761128
-
PE(40:3)
PE 40:3
ME304707
-
-
4.172172994
-
Pentacosanoylglycine
Pentacosanoylglycine
ME304663
-
-
4.059716678
-
Persicachrome
-
ME304660
-
-
3.645892055
-
phenyl-1-thio-β-D-galactopyranoside
-
ME304540
-
-
15.01786686
-
Pro-Gly-Pro-Ser
-
ME304581
-
-
9.523151555
-
PS(34:0)
PS 34:0
ME304691
-
-
3.694026196
-
PS(36:0)
PS 36:0
ME304698
-
-
3.667796047
-
PS(38:3)
PS 38:3
ME304704
-
-
3.754903145
-
PS(38:4)
PS 38:4
ME304703
-
-
3.769015878
-
PS(38:6)
PS 38:6
ME304701
-
-
3.80627917
-
PS(40:5)
PS 40:5
ME304710
-
-
3.736246854
-
PS(41:6)
PS 41:6
ME304712
-
-
3.766082521
-
PS(42:4)
PS 42:4
ME304716
-
-
3.741512698
-
PS(42:5)
PS 42:5
ME304715
-
-
3.741703978
-
(S)C(S)S-S-Methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME304733
-
-
9.552025859
-
Ser-Arg
Ser-Arg
ME304886
-
-
16.66978261
-
Serinyl-Hydroxyproline
-
ME304837
-
-
9.908429294
-
SM(d32:1)
SM 32:1;O2
ME304678
-
-
7.746746051
-
SM(d34:1)
SM 34:1;O2
ME304683
-
-
7.750592089
-
[SP hydroxy(16:0)] N-(hexadecanoyl)-4S-hydroxysphi...
-
ME304672
-
-
3.97822802
-
(S,S)-Np-Histidinylalanine
-
ME304867
-
-
12.59906829
-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
3-Deoxyvitamin D3
ME304662
-
-
3.859588476
-
Threoninyl-Aspartate
Thr-Ser
ME304839
-
-
11.34201006
-
TMTT
-
ME304595
-
-
4.287759942
-
Tyr-Glu-Glu-Glu
-
ME304659
-
-
16.15817934
-
Undecanoylcholine
Undecanoylcholine
ME304609
-
-
7.824651021
-
Val-Val
Val-Val
ME304508
-
-
12.00461024
-
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...
-
ME304817
-
-
16.33742065
-
γ-aminobutyramide
-
ME304719
-
-
28.03242921
-
γ-Glu-Ala-Gly-CHO
-
ME304496
-
-
9.33621739
-
γ-thiomethyl glutamate
-
ME304773
-
-
10.81143334
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
ATP
ATP
ME304903
-
C00002
16.61243434
-
Orthophosphate
Phosphoric acid
ME305242
-
C00009
18.30803044
-
CoA
Coenzyme A
ME305019
-
C00010
7.797523014
-
UDP
UDP
ME305222
-
C00015
16.57497781
-
Acetyl-CoA
Acetyl-CoA
ME305037
-
C00024
12.46255634
-
2-Oxoglutarate
2-Oxoglutaric acid
ME305155
-
C00026
15.61334615
-
UDP-glucose
UDP-glucose
ME304954
-
C00029
16.37482784
-
Succinate
Succinic acid
ME305134
-
C00042
15.25562165
-
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME304983
-
C00043
15.23741818
-
L-Aspartate
Aspartic acid
ME305136
-
C00049
15.01792436
-
Ascorbate
Vitamin C
ME305184
-
C00072
15.27249929
-
UTP
UTP
ME305227
-
C00075
17.93984133
-
D-Glucose 6-phosphate
Glucose 6-phosphate
ME305177
-
C00092
16.91245004
-
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME305087
-
C00093
14.61663485
-
D-Fructose
Fructose
ME305174
-
C00095
17.18122713
-
L-Cysteine
Cysteine
ME305081
-
C00097
16.34956167
-
UMP
UMP
ME305221
-
C00105
15.23971422
-
Uracil
Uracil
ME305129
-
C00106
8.774151581
-
CDP
CDP
ME305229
-
C00112
17.11991277
-
D-Ribose 5-phosphate
Ribose 5-phosphate
ME305147
-
C00117
15.64261735
-
D-Ribose
Ribose
ME305145
-
C00121
15.13245993
-
Fumarate
Fumaric acid
ME305131
-
C00122
15.17410812
-
IMP
IMP
ME304899
-
C00130
15.5480865
-
(S)-Malate
Malic acid
ME305135
-
C00149
16.10210602
-
Citrate
Citric acid
ME305185
-
C00158
18.13538374
-
Acetoacetate
Acetoacetic acid
ME305133
-
C00164
13.4732101
-
Phenylpyruvate
Phenylpyruvic acid
ME305239
-
C00166
5.157667696
-
UDP-glucuronate
UDP-glucuronic acid
ME304951
-
C00167
18.98762701
-
Hydroxypyruvate
Hydroxypyruvic acid
ME305078
-
C00168
15.78848584
-
Thymine
Thymine
ME305152
-
C00178
7.772106564
-
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine
Cer 18:1;O2/24:1
ME305097
-
C00195
4.227444446
-
3-Phospho-D-glycerate
3-Phosphoglyceric acid
ME305085
-
C00197
16.99151602
-
Oxalate
Oxalic acid
ME305053
-
C00209
17.82709098
-
FA (20:4)
Arachidonic acid
ME305013
-
C00219
3.962778407
-
3-Oxopropanoate
Malonic semialdehyde
ME305077
-
C00222
14.82934691
-
dCMP
dCMP
ME305224
-
C00239
14.96980247
-
Taurine
Taurine
ME305056
-
C00245
14.96676453
-
FA(16:0)
Palmitic acid
ME304976
-
C00249
4.012403523
-
(R)-Lactate
Lactic acid
ME305079
-
C00256
9.741433839
-
D-Gluconic acid
Gluconic acid
ME305175
-
C00257
14.02629086
-
D-Erythrose 4-phosphate
Erythrose 4-phosphate
ME305139
-
C00279
16.33498182
-
Orotate
Orotic acid
ME305150
-
C00295
10.28185736
-
ADP-ribose
ADP-ribose
ME304953
-
C00301
13.50991582
-
GDP-L-fucose
GDP-L-fucose
ME304964
-
C00325
17.58129369
-
L-Kynurenine
Kynurenine
ME304897
-
C00328
10.4743129
-
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME305176
-
C00345
17.75503172
-
D-Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME305179
-
C00354
18.37427266
-
N-Acetyl-D-glucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME305211
-
C00357
15.27925391
-
dTDP
dTDP
ME304902
-
C00363
14.73810081
-
Xanthine
Xanthine
ME305151
-
C00385
11.53939021
-
PA(36:2)
PA 36:2
ME305074
-
C00416
3.81022064
-
dTTP
dTTP
ME304905
-
C00459
16.21344268
-
L-Cysteate
Cysteic acid
ME305082
-
C00506
15.63120426
-
Hexadecanal
Palmitaldehyde
ME304975
-
C00517
4.220823827
-
CDP-ethanolamine
CDP-Ethanolamine
ME304916
-
C00570
16.43849376
-
2-Hydroxy-2,4-pentadienoate
2-Hydroxypenta-2,4-dienoic acid
ME305153
-
C00596
14.70916773
-
PIP(36:2)
PI P-36:2
ME305113
-
C00626
7.778545222
-
Pyridoxine phosphate
Pyridoxine 5'-phosphate
ME305205
-
C00627
13.48056989
-
(S)-3-Methyl-2-oxopentanoic acid
(S)-3-Methyl-2-oxopentanoic acid
ME305164
-
C00671
5.065051023
-
dCDP
dCDP
ME305228
-
C00705
16.23806588
-
[FA (18:1)] 9Z-octadecenoic acid
Oleic acid
ME304998
-
C00712
3.977649488
-
Bergaptol
Bergaptol
ME304919
-
C00758
15.3005348
-
Pentanoate
Valeric acid
ME305144
-
C00803
7.792586864
-
3-Dehydroquinate
3-Dehydroquinate
ME305187
-
C00944
10.92579546
-
N-Acetyl-L-aspartate
N-Acetylaspartic acid
ME305186
-
C01042
14.69464311
-
(R)-2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME305160
-
C01087
15.12020701
-
D-Ribose 1,5-bisphosphate
Ribose 1,5-bisphosphate
ME305148
-
C01151
18.37887816
-
2-Dehydro-3-deoxy-D-galactonate
-
ME305167
-
C01216
14.63258442
-
sn-glycero-3-Phospho-1-inositol
sn-Glycero-3-phosphoinositol
ME305237
-
C01225
16.19079919
-
Octadecanoic acid
Stearic acid
ME305000
-
C01530
3.959526756
-
Decanoic acid
Capric acid
ME304912
-
C01571
4.350583348
-
Hexanoic acid
Caproic acid
ME305172
-
C01585
5.137230274
-
Linoleate
Linoleic acid
ME304995
-
C01595
3.983539389
-
Stachyose
Stachyose
ME305042
-
C01613
17.75526191
-
Tauropine
Tauropine
ME305146
-
C01616
9.193657481
-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...
Threonic acid
ME305138
-
C01620
12.46566517
-
Mesaconate
Mesaconic acid
ME305154
-
C01732
14.08742839
-
Maltotriose
Maltotriose
ME304994
-
C01835
17.05868629
-
Pentadecanal
Pentadecanal
ME304960
-
C01948
4.255619836
-
L-Erythrulose
Erythrulose
ME305137
-
C02045
14.66624398
-
Phenol sulfate
Phenyl hydrogen sulfate
ME305180
-
C02180
10.67698339
-
10-Oxodecanoate
10-Oxodecanoic acid
ME304909
-
C02217
7.676054552
-
5-Valerolactone
5-Valerolactone
ME305157
-
C02240
4.876059576
-
[FA (6:0)] hexanal
Caproaldehyde
ME305171
-
C02373
4.316511847
-
(R)-2-Ethylmalate
-
ME305166
-
C02488
17.06600961
-
Glycerone sulfate
Glycerone sulfate
ME305080
-
C02543
17.46873724
-
Coniferyl aldehyde
Coniferyl aldehyde
ME304895
-
C02666
5.095438512
-
Dodecanoic acid
Lauric acid
ME304929
-
C02679
4.170953045
-
Propanoyl phosphate
Propanoyl phosphate
ME305084
-
C02876
11.54533018
-
N2-Succinyl-L-arginine
N2-Succinoylarginine
ME304906
-
C03296
13.11518521
-
(R)-S-Lactoylglutathione
S-Lactoylglutathione
ME304936
-
C03451
12.35532304
-
Ethyl (R)-3-hydroxybutanoate
-
ME305173
-
C03499
5.163056067
-
2'-Hydroxydihydrodaidzein
2'-Hydroxydihydrodaidzein
ME304949
-
C03567
14.90106745
-
3-(4-Hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME305220
-
C03672
9.069587339
-
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME305226
-
C04067
5.139742888
-
1-Deoxy-D-altro-heptulose 7-phosphate
1-Deoxy-D-altro-heptulose 7-phosphate
ME305199
-
C04359
15.34501662
-
5'-Phosphoribosyl-N-formylglycinamide
FGAR
ME305210
-
C04376
16.08667065
-
N-Acetyl-D-glucosamine 1,6-bisphosphate
N-Acetylglucosamine 1,6-bisphosphate
ME305214
-
C04461
17.06300795
-
Guanosine 3'-diphosphate 5'-triphosphate
-
ME304907
-
C04494
18.01982528
-
N4-(Acetyl-beta-D-glucosaminyl)asparagine
Aspartylglycosamine
ME304925
-
C04540
14.77768063
-
Trihexosylceramide (d18:1/16:0)
Hex3Cer 18:1;O2/16:0
ME305140
-
C04737
5.095324961
-
Trihexosylceramide (d18:1/22:0)
Hex3Cer 18:1;O2/22:0
ME305141
-
C04737
7.807115101
-
Trihexosylceramide (d18:1/24:1(15Z))
-
ME305163
-
C04737
7.796857949
-
2-(alpha-Hydroxyethyl)thiamine diphosphate
-
ME304943
-
C05125
14.22709036
-
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate
ME305198
-
C05382
16.33798174
-
L-Dehydroascorbate
Dehydroascorbic acid
ME305181
-
C05422
17.84527352
-
H2S2O3
-
ME305241
-
C05529
21.4266059
-
Hydantoin-5-propionate
Hydantoin-5-propionic acid
ME305183
-
C05565
9.116865806
-
3-Methoxy-4-hydroxyphenylacetaldehyde
Homovanillin
ME305219
-
C05581
5.106677919
-
Gentisate aldehyde
Gentisate aldehyde
ME305201
-
C05585
5.05378737
-
Phenylpropanoate
Hydrocinnamic acid
ME305218
-
C05629
5.083092876
-
S-Sulfo-L-cysteine
Cysteine-S-sulfate
ME305083
-
C05824
16.91467353
-
Methylimidazole acetaldehyde
Methylimidazole acetaldehyde
ME305182
-
C05827
7.676621655
-
Iminoaspartate
Iminoaspartic acid
ME305132
-
C05840
9.104140218
-
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME305195
-
C05844
15.61765079
-
(S)-2-Aceto-2-hydroxybutanoate
Acetohydroxybutyric acid
ME305165
-
C06006
9.023630763
-
(S)-2-Acetolactate
(S)-2-Acetolactate
ME305159
-
C06010
14.79362879
-
[PR] Abietic acid
Abietic acid
ME305012
-
C06087
4.076979296
-
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME305178
-
C06156
15.47655005
-
Chelirubine
Chelirubine
ME305017
-
C06327
12.72222254
-
FA (8:0) octanoic acid
Caprylic acid
ME305212
-
C06423
4.628789389
-
Tetradecanoic acid
Myristic acid
ME304947
-
C06424
4.076202007
-
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid
alpha-Linolenic acid
ME304991
-
C06427
3.995921711
-
Docosahexaenoicacid
Docosahexaenoic acid
ME305025
-
C06429
3.919932532
-
Carmustine
Carmustine
ME305161
-
C06873
5.614469486
-
Docosanoic acid
Behenic acid
ME305033
-
C08281
3.88092273
-
[FA (22:1)] 13Z-docosenoic acid
cis-Erucic acid
ME305032
-
C08316
3.90283385
-
FA(24:0)
Lignoceric acid
ME305045
-
C08320
3.843415162
-
[FA (24:0)] 15Z-tetracosenoic acid
Nervonic acid
ME305044
-
C08323
3.841458026
-
FA(16:1)
Hexadecenoic acid
ME304971
-
C08362
4.026447466
-
Sinalbin
Sinalbin
ME304941
-
C08426
14.91381758
-
Ethyl 2-methylbut-2-enoate
Ethyl tiglate
ME305191
-
C08487
4.454606621
-
Indicaxanthin
Indicaxanthin
ME304940
-
C08549
21.28749186
-
Digitalin
Digitalin
ME305064
-
C08862
16.92799198
-
Precocene 2
Precocene II
ME304933
-
C09018
4.300317394
-
Inumakilactone A glycoside
Inumakilactone A glycoside
ME305040
-
C09114
5.177379444
-
Bakkenolide A
Bakkenolide A
ME304952
-
C09350
4.235938402
-
Narceine
-
ME305034
-
C09591
11.33770476
-
alpha-Irone
alpha-Irone
ME304944
-
C09690
4.30118486
-
Phytuberin
Phytuberin
ME304982
-
C09709
4.147385869
-
Glepidotin B
Glepidotin B
ME305011
-
C09753
10.4087891
-
[6]-Paradol
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
ME304981
-
C10482
4.100214338
-
Psoralidin
Psoralidin
ME305009
-
C10523
5.409447801
-
Magnoshinin
Magnoshinin
ME305041
-
C10658
4.278165659
-
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole
-
ME304900
-
C11107
17.35919819
-
Dichloroacetate
Dichloroacetic acid
ME305052
-
C11149
7.788469442
-
[FA] Methyl jasmonate
Methyl jasmonate
ME304935
-
C11512
4.105502535
-
Gibberellin A51-catabolite
Gibberellin A51-catabolite
ME305005
-
C11854
14.54667765
-
Tetrangomycin
Tetrangomycin
ME305003
-
C12396
13.21610873
-
Cyclic ADP-ribose
Cyclic ADP-ribose
ME304950
-
C13050
14.29187622
-
1-O-Octadec-9-enyl glycerol
-
ME305022
-
C13860
4.204842849
-
Tributyrin
TG 4:0/4:0/4:0
ME304955
-
C13870
4.338450492
-
N-(Tetradecanoyl)-sphing-4-enine
Cer 18:1;O2/14:0
ME305057
-
C13916
4.093977005
-
Acotiamide
-
ME305018
-
C14127
5.05253245
-
Sulfoacetate
Sulfoacetic acid
ME305055
-
C14179
17.90396482
-
Aurin
Aurin
ME305002
-
C14213
5.135739693
-
4-Heptyloxyphenol
4-Heptyloxyphenol
ME304934
-
C14236
4.207877774
-
Diethyl adipate
-
ME304910
-
C14566
4.954208621
-
[FA (18:1)] 9R,10S-epoxy-12Z-octadecenoic acid
9R,10S-EpOME
ME304996
-
C14825
4.07563989
-
FA oxo(12:1)
Traumatin
ME304923
-
C16309
4.349366729
-
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME305232
-
C16322
5.086394925
-
3,6,8-Trimethylallantoin
-
ME305190
-
C16362
13.28939128
-
N,N'-Dimethylurea
N,N-Dimethylurea
ME305086
-
C16364
13.23690394
-
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...
DPA
ME305026
-
C16513
3.924096825
-
Icosadienoic acid
11Z,14Z-Eicosadienoic acid
ME305014
-
C16525
3.941939678
-
[FA (20:1)] 11Z-eicosenoic acid
cis-Gondoic acid
ME305015
-
C16526
3.925973711
-
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid
Adrenic acid
ME305027
-
C16527
3.915227787
-
[FA (22:2)] 13Z,16Z-docosadienoic acid
13Z,16Z-Docosadienoic acid
ME305030
-
C16533
3.904698423
-
FA methyl(14:0)
-
ME304961
-
C16665
4.051873725
-
8-methylthiooctyl glucosinolate
-
ME304974
-
C17254
14.91816259
-
8-methylsulfinyloctyl glucosinolate
-
ME304973
-
C17271
10.17811517
-
10-hydroxygeraniol
-
ME304908
-
C17621
4.346616618
-
(Acetyloxy)triphenylstannane
-
ME305010
-
C18728
4.985769871
-
N-Nitrosoproline
N-Nitrosoproline
ME305156
-
C19485
12.39339924
-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
-
ME305194
-
-
11.74774126
-
2-Dodecylbenzenesulfonic acid
2-Dodecylbenzenesulfonic acid
ME304992
-
-
3.829582322
-
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone
-
ME304937
-
-
4.906104101
-
2-Methyl-4-propyl-1,3-oxathiane
2-Methyl-4-propyl-1,3-oxathiane
ME305213
-
-
5.12464269
-
2-oxobut-3-enanoate
-
ME305130
-
-
15.14787826
-
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid
-
ME304922
-
-
4.590506754
-
3'-Glucosyl-2',4',6'-trihydroxyacetophenone
-
ME304942
-
-
15.16376665
-
4beta-(2-Aminoethylthio)catechin
-
ME304979
-
-
14.14946585
-
4-nitro-5-aminoimidazole ribonucleotide
-
ME305188
-
-
13.24510624
-
5-6-Dihydrouridine
5,6-Dihydrouridine
ME305223
-
-
13.23370071
-
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid
ME304914
-
-
4.326817676
-
6-formyl-H2-pterin
-
ME305200
-
-
9.12407204
-
7,8-diketopelargonate
-
ME305225
-
-
5.066772723
-
7E,9E,11-Dodecatrienyl acetate
7E,9E,11-Dodecatrienyl acetate
ME304945
-
-
4.301990409
-
7-Hydroxy-R-acenocoumarol
-
ME305004
-
-
13.06571294
-
7-methylsulfinylheptyl glucosinolate
-
ME304958
-
-
10.27620075
-
7-methylthioheptyl glucosinolate
-
ME304959
-
-
15.00329919
-
Adrenochrome
Adrenochrome
ME305240
-
-
5.205815498
-
Ala-Asp-Asp-Gln
-
ME304963
-
-
15.83975033
-
Ala-Glu-Asp-Glu
-
ME304980
-
-
16.40576201
-
Ala-Glu-Glu-Ser
-
ME304965
-
-
13.28694041
-
Ala-Leu-Thr-Ala
-
ME304969
-
-
18.90871437
-
Ala-Met-Met-Ser
-
ME304970
-
-
10.94353241
-
Ala-Ser
Ala-Ser
ME305169
-
-
12.67681657
-
Ala-Val-Asp-Asp
-
ME304966
-
-
15.39531909
-
Arg-Lys-Pro-His
-
ME305038
-
-
28.76189396
-
Asn-Asp-Gln-Ser
-
ME304967
-
-
13.11604445
-
Asn-Met-Cys-Pro
-
ME304986
-
-
14.95012871
-
Asn-Met-Thr-Asp
-
ME304987
-
-
11.09494808
-
Asp-Leu-Phe-Asp
-
ME305036
-
-
11.72550872
-
Asp-Val-Pro-Ser
-
ME304984
-
-
10.63805964
-
Cer(d36:1)
Cer 36:1;O2
ME305066
-
-
4.130698499
-
Cer(d36:2)
Cer 36:2;O2
ME305065
-
-
4.101291317
-
CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z))
CL 18:1(11Z)/18:1(11Z)/18:1(11Z)/18:2(9Z,12Z)
ME305203
-
-
3.714645964
-
CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))
CL 18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)
ME305202
-
-
3.650262491
-
CL(20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z...
CL 20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z)
ME305204
-
-
3.706738011
-
Cys-Cys-Gln-Pro
-
ME304968
-
-
15.10224609
-
Cys-Lys-Cys-Cys
-
ME304957
-
-
14.92208338
-
Cys-Met-Gln-Pro
-
ME304993
-
-
14.83387553
-
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose
-
ME304911
-
-
15.61764686
-
D-erythro-L-galacto-Nonulose
-
ME305236
-
-
14.9235889
-
DG(41:7)
DG 41:7
ME305104
-
-
7.693430812
-
Dihydrogenphosphate
-
ME304894
-
-
15.12367069
-
D-isoglutamine
-
ME305168
-
-
11.90074087
-
Elenaic acid
-
ME304913
-
-
14.55347651
-
EPC(d32:1)
EPC 32:1;O2
ME305061
-
-
4.651393636
-
EPC(d36:1)
EPC 36:1;O2
ME305072
-
-
4.92840433
-
ETF
-
ME305054
-
-
14.63532783
-
ethyl-(2R)-methyl-(3S)-hydroxybutanoate
-
ME305197
-
-
5.017374767
-
Ethyl isopropyl disulfide
-
ME305149
-
-
11.1099172
-
ethylpyruvate
-
ME305158
-
-
4.260667674
-
[FA (11:0)] undecanoic acid
Undecylic acid
ME304918
-
-
4.264748991
-
FA (12:1) Decenedioic acid
Decenedioic acid
ME304904
-
-
7.780218675
-
FA (12:1) dodecenoic acid
Dodecenoic acid
ME304927
-
-
4.172755055
-
[FA (16:4)] hexadecatetraenoic acid
Hexadecatetraenoic acid
ME304962
-
-
4.294593629
-
FA (17:0)
Margaric acid
ME304989
-
-
3.988205049
-
[FA (18:2)] 3Z,13Z-octadecadien-1-ol
-
ME304997
-
-
4.201934161
-
FA (19:1)
Nonadecenoic acid
ME305006
-
-
3.947121528
-
FA (22:0)
Behenic acid
ME305016
-
-
4.242462613
-
[FA (23:0)] tricosanoic acid
Tricosylic acid
ME305039
-
-
3.874219713
-
[FA (25:0)] pentacosanoic acid
Hyenic acid
ME305047
-
-
3.839365125
-
FA (26:1)
Hexacosenoic acid
ME305049
-
-
3.81266833
-
FA (28:1)
Octacosenoic acid
ME305051
-
-
3.785296037
-
FA (8:1)
Octenoic acid
ME305208
-
-
4.777930289
-
FA (8:1) octenal
-
ME305207
-
-
4.283271212
-
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...
-
ME304956
-
-
4.065008067
-
FA dimethyl(20:3)
-
ME305029
-
-
3.895626201
-
[FA hydroxy(11:1)] undecenoic acid
Undecenoic acid
ME304917
-
-
4.606683858
-
FA hydroxy(12:0) dodecanoic acid
Lauric acid
ME304930
-
-
4.778674375
-
FA hydroxy(16:0)] hexadecanoic acid
-
ME304977
-
-
4.192917178
-
FA hydroxy(18:0)
-
ME305001
-
-
4.076441432
-
FA hydroxy(19:0)] nonadecanoic acid
2-Hydroxynonadecanoic acid
ME305008
-
-
4.210238878
-
FA hydroxy(9:0) hydroxy-nonanoic acid
-
ME305235
-
-
5.083898987
-
FA methyl(12:0) dodecanoic acid
Lauric acid
ME304938
-
-
4.140810625
-
FA methyl(16:1)
-
ME304988
-
-
4.009702031
-
FA methyl(18:0)
-
ME305007
-
-
3.952423735
-
FA methyl(6:0)
-
ME305196
-
-
5.021016716
-
FA methyl(8:0)
-
ME305234
-
-
4.447551581
-
FA methyl (8:1)
-
ME305231
-
-
4.522453031
-
[FA oxo(14:0)] 3-oxo-tetradecanoic acid
3-Oxotetradecanoic acid
ME304946
-
-
4.22328586
-
FA oxo(16:0)
-
ME304972
-
-
4.079451998
-
FA oxo(18:0)
-
ME304999
-
-
4.020788882
-
FA oxo(7:0)
-
ME305192
-
-
5.134665133
-
FA oxo(8:0) oxo-octanoic acid
-
ME305209
-
-
7.788740925
-
[FA oxo(8:1)] 5-oxo-7-octenoic acid
5-Oxo-7-octenoic acid
ME305206
-
-
4.846597475
-
Furosemide
Furosemide
ME304920
-
-
12.76113097
-
Galactinoldihydrate
Galactinol
ME304931
-
-
14.06385241
-
Gln-Leu-Lys-Tyr
-
ME305048
-
-
16.12172278
-
Glu-Ser-Ser
Glu-Ser-Ser
ME304915
-
-
15.46966906
-
Glu-Thr
Glu-Thr
ME305230
-
-
14.84876506
-
Gly-Ser
Gly-Ser
ME305143
-
-
13.13156743
-
hexane-6-ol-1,3,4,6-tetracarboxylate
-
ME304901
-
-
22.4479875
-
Homophytanicacid
Homophytanic acid
ME305021
-
-
3.917641975
-
Ile-Ala-Ser
Ile-Ala-Ser
ME304928
-
-
9.948872792
-
Ile-Met-Met-Pro
-
ME305020
-
-
10.78615
-
Ile-Phe-Pro-Pro
-
ME305046
-
-
7.806156783
-
(+/-)-Methyl 5-acetoxyhexanoate
Methyl 5-acetoxyhexanoate
ME305233
-
-
5.126015665
-
MG(18:0/0:0/0:0)
MG 18:0/0:0/0:0
ME305023
-
-
4.292277696
-
Musabalbisiane B
-
ME305035
-
-
3.998027484
-
N6-Galacturonyl-L-lysine
-
ME304926
-
-
15.66461831
-
N-acetyl -D- glucosaminitol
N-Acetyl-glucosaminitol
ME305215
-
-
13.45021973
-
N-Acetylglutamine
N-Acetylglutamine
ME305189
-
-
9.205127825
-
nonulose 9-phosphate
Nonulose 9-phosphate
ME305238
-
-
17.10857142
-
N-Palmitoylsphingosine
Cer 18:1;O2/16:0
ME305059
-
-
4.541386944
-
N-Undecylbenzenesulfonic acid
N-Undecylbenzenesulfonic acid
ME304985
-
-
3.844468674
-
octulose 8-phosphate
Octulose 8-phosphate
ME305216
-
-
16.42534698
-
Orotidine
Orotidine
ME304898
-
-
12.36252146
-
PA(30:0)
PA 30:0
ME305058
-
-
3.863719819
-
PA(32:1)
PA 32:1
ME305062
-
-
3.830061897
-
PA(34:1)
PA 34:1
ME305070
-
-
3.838241287
-
PA(34:2)
PA 34:2
ME305068
-
-
3.816962711
-
p-aminobenzoyl glutamate
4-Aminobenzoylglutamic acid
ME304921
-
-
14.38579597
-
PC(31:2)
PC 31:2
ME305075
-
-
5.323925018
-
PE(30:0)
PE 30:0
ME305063
-
-
4.447380163
-
PE(P-38:3)
PE P-38:3
ME305101
-
-
5.328826977
-
Perfluorooctanoic acid
Perfluorooctanoic acid
ME305217
-
-
4.02449646
-
[PG (28:0)]
PG 28:0
ME305060
-
-
3.734573001
-
PG(30:0)
PG 30:0
ME305067
-
-
3.71303889
-
PG(34:2)
PG 34:2
ME305090
-
-
3.671809508
-
PG(34:3)
PG 34:3
ME305088
-
-
3.676038881
-
PG(36:2)
PG 36:2
ME305096
-
-
3.66647776
-
PG(36:3)
PG 36:3
ME305094
-
-
3.66325158
-
PG(40:7)
PG 40:7
ME305116
-
-
3.643893663
-
PG(40:8)
PG 40:8
ME305114
-
-
3.643972984
-
PG(42:8)
PG 42:8
ME305125
-
-
3.647783322
-
PG(42:9)
PG 42:9
ME305124
-
-
3.638985697
-
phosphinomethylmalate
-
ME305162
-
-
16.72532223
-
PI(28:0)
PI 28:0
ME305069
-
-
3.919149223
-
PI(30:0)
PI 30:0
ME305076
-
-
3.89784288
-
PI(30:1)
PI 30:1
ME305073
-
-
3.911032553
-
PI(32:1)
PI 32:1
ME305092
-
-
3.860668255
-
PI(34:1)
PI 34:1
ME305102
-
-
3.858364492
-
PI(34:2)
PI 34:2
ME305100
-
-
3.84588812
-
PI(36:2)
PI 36:2
ME305111
-
-
3.827476187
-
PI(36:3)
PI 36:3
ME305109
-
-
3.814872233
-
PI(36:4)
PI 36:4
ME305107
-
-
3.81271349
-
PI(38:3)
PI 38:3
ME305123
-
-
3.808387308
-
PI(38:4)
PI 38:4
ME305121
-
-
3.803188893
-
PI(38:5)
PI 38:5
ME305119
-
-
3.80926906
-
PI(38:6)
PI 38:6
ME305118
-
-
3.814146024
-
PI(40:5)
PI 40:5
ME305127
-
-
3.806119065
-
Pipericine
NA-Pipericine
ME305031
-
-
4.207936096
-
Polyethylene, oxidized
-
ME304924
-
-
4.86137626
-
Potassium 2-(1'-ethoxy) ethoxypropanoate
-
ME305193
-
-
9.755177719
-
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...
PS 18:1(9Z)/0:0
ME305043
-
-
7.779215858
-
PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME305117
-
-
3.757308742
-
PS(32:1)
PS 32:1
ME305071
-
-
3.846389686
-
PS(34:1)
PS 34:1
ME305091
-
-
3.835451604
-
PS(34:2)
PS 34:2
ME305089
-
-
3.834719849
-
PS(36:2)
PS 36:2
ME305095
-
-
3.815643662
-
PS(36:3)
PS 36:3
ME305093
-
-
3.82730478
-
PS(37:1)
PS 37:1
ME305103
-
-
3.713194444
-
PS(37:3)
PS 37:3
ME305099
-
-
3.783076211
-
PS(37:4)
PS 37:4
ME305098
-
-
3.788107142
-
PS(38:2)
PS 38:2
ME305105
-
-
3.802423011
-
PS(39:2)
PS 39:2
ME305112
-
-
3.804741293
-
PS(39:3)
PS 39:3
ME305110
-
-
3.790532539
-
PS(39:4)
PS 39:4
ME305108
-
-
3.775611115
-
PS(39:5)
PS 39:5
ME305106
-
-
3.777702404
-
PS(40:7)
PS 40:7
ME305115
-
-
3.799288904
-
PS(41:4)
PS 41:4
ME305122
-
-
3.775854527
-
PS(41:5)
PS 41:5
ME305120
-
-
3.774686222
-
PS(43:4)
PS 43:4
ME305128
-
-
3.776952386
-
PS(43:6)
PS 43:6
ME305126
-
-
3.766630155
-
Quinoline yellow
-
ME304990
-
-
15.85887059
-
(R)-piperazine-2-carboxylate
(R)-Piperazine-2-carboxylic acid
ME305142
-
-
13.22882928
-
Serinyl-Serine
Ser-Ser
ME305170
-
-
13.28803101
-
sodium dodecyl sulfate
Blasticidin S
ME304932
-
-
3.837962626
-
Sodium Tetradecyl Sulfate
-
ME304948
-
-
3.807051017
-
Sucrose monopalmitate
-
ME305050
-
-
15.64340791
-
Thienodihydropyridinium
-
ME304939
-
-
16.10756894
-
Tipredane
-
ME305024
-
-
3.820906978
-
Trifluridine
-
ME304896
-
-
10.49518021
-
Zopiclone N-oxide
-
ME304978
-
-
15.7405754
-
α-D-xylosyl-(1->6)-β-D-glucosyl- (1->4)-β-D-glu...
Melibiose
ME305028
-
-
14.54911666
-
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