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Return to study ST002106 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
N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole
alpha-Ribazole
ME512483
-
C05775
10.02521576
-
Proline betaine
Proline betaine
ME512591
-
C10172
10.02621481
-
Acetylcarnitine
CAR 2:0
ME512615
-
C02571
10.15996249
-
Asn/Leu/Pro/Pro
-
ME512519
-
-
10.26627374
-
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole
-
ME512565
-
-
10.39957093
-
Leucine
Leucine
ME512582
-
C16439_C00123_C01570
10.49013836
-
Valine
Valine
ME512567
-
C16436_C06417_C00183
10.73896944
-
Glu/Phe/Ala/Pro
-
ME512523
-
-
10.76835501
-
Carnosine
Carnosine
ME512609
-
C00386
10.80535878
-
Glu/Ala/Val
Glu-Ala-Val
ME512479
-
-
10.83108783
-
Phe/Asp/His
Phe-Asp-His
ME512513
-
-
10.92525982
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME512614
-
C01092
11.09083252
-
Methionine
Methionine
ME512568
-
C00073_C00855_C01733
11.10788071
-
Alanyl-Proline
Ala-Pro
ME512597
-
-
11.28164298
-
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME512612
-
C15700
11.40796145
-
Histidinyl-Histidine
His-His
ME512466
-
-
11.51921488
-
Cytidine
Cytidine
ME512606
-
C02961_C00475
11.52893682
-
Histidine trimethylbetaine
Hercynine
ME512610
-
C05575
11.61412273
-
5-Acetamidovalerate
5-Acetamidovaleric acid
ME512592
-
C03087
11.67043046
-
Glycyl-Histidine
Gly-His
ME512596
-
-
11.75051192
-
Ala/Gly/His
Ala-Gly-His
ME512459
-
-
11.91285347
-
(2-Methylpropionyl)-dihydrolipoamide-E
S-(2-Methylpropionyl)-dihydrolipoamide-E
ME512473
-
C04424
12.07637715
-
Heterodendrin
Heterodendrin
ME512460
-
C08332
12.40113161
-
Proline
Proline
ME512575
-
C00148_C00763
12.40605575
-
Glycylproline
Gly-Pro
ME512590
-
-
12.49555868
-
Ala/Asn/Pro
Ala-Asn-Pro
ME512469
-
-
12.50416158
-
Val/Asp/His
Val-Asp-His
ME512495
-
-
12.5964386
-
Carnitine
Carnitine
ME512595
-
C00318_C00487_C15025
12.60366114
-
Ala/Gly/Pro
Ala-Gly-Pro
ME512448
-
-
12.61151846
-
2-Aminoheptanoate
2-Aminoheptanoic acid
ME512594
-
-
12.68875249
-
DL-2-Aminooctanoic acid
2-Aminocaprylic acid
ME512601
-
-
12.68929921
-
Asparaginyl-Histidine
Asn-His
ME512445
-
-
12.73454038
-
Val/Asp/Pro
Val-Asp-Pro
ME512489
-
-
12.75831817
-
Adenosylhomocysteine
S-Adenosylhomocysteine
ME512486
-
C00021
13.01777451
-
Prolyl-Serine
Pro-Ser
ME512598
-
-
13.07911741
-
6,7-Dimethyl-8-(1-D-ribityl)lumazine
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME512476
-
C04332
13.12974125
-
6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoate
-
ME512465
-
-
13.13722906
-
Valyl-Arginine
Val-Arg
ME512464
-
-
13.31457102
-
Glucosamine
Glucosamine
ME512583
-
C00329
13.31511956
-
Diferuloylputrescine
-
ME512529
-
-
13.33320787
-
N-(3-oxohexanoyl)-L-homoserine
-
ME512451
-
-
13.38762267
-
Asparaginyl-Proline
Asn-Pro
ME512611
-
-
13.45249655
-
Serotinose
Vicianose
ME512461
-
C01625
13.50165883
-
Sulforhodamine B
-
ME512535
-
-
13.52004994
-
Ala/Asn/Gly
Ala-Asn-Gly
ME512613
-
-
13.53577281
-
2'-Deoxyguanosine 5'-monophosphate
dGMP
ME512444
-
C00362
13.53730688
-
Adenine
Adenine
ME512573
-
C00147
13.54562458
-
GW 4064
-
ME512537
-
C15635
13.65464381
-
NAD
NAD
ME512520
-
C00003
13.69137279
-
CMP-N-trimethyl-2-aminoethylphosphonate
CMP-2-trimethylaminoethylphosphonate
ME512492
-
C05674
13.84700269
-
5-Aminolevulinic acid
5-Amino-levulinic acid
ME512576
-
C00430
13.96810506
-
Muramic acid
Muramic acid
ME512616
-
C06470
14.13822016
-
(R) 2,3-Dihydroxy-3-methylvalerate
-
ME512579
-
C04104_C06007
14.15366749
-
Phosphorylcholine
Choline phosphate
ME512571
-
C00588
14.20277796
-
N-Benzoyl-D-arginine
N-Benzoyl-D-arginine
ME512475
-
C03001
14.27390374
-
beta-aspartyl-L-glutamic acid
-
ME512608
-
-
14.2830658
-
Asn/Asn/Ser/Tyr
-
ME512518
-
-
14.3670296
-
Alanine
Alanine
ME512547
-
C00133_C00041
14.37381823
-
Creatine
Creatine
ME512562
-
C00300
14.3739601
-
Histidine
Histidine
ME512589
-
C06419_C00135
14.45167125
-
Succinyladenosine
Succinyladenosine
ME512481
-
-
14.58142368
-
Asn/Leu/Pro/Ser
-
ME512510
-
-
14.59382196
-
Glu/Ala/Pro
Glu-Ala-Pro
ME512477
-
-
14.66882019
-
Ala/Asp/Pro
Ala-Asp-Pro
ME512467
-
-
14.7709606
-
Glutamylhistidine
Glu-His
ME512458
-
-
14.77773769
-
Glutamine
Glutamine
ME512566
-
C00819_C00064
14.86609705
-
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME512563
-
C00334
14.90918694
-
Ala/Val/Asp/Ser
-
ME512499
-
-
14.9568167
-
PS(12:0)
PS 12:0
ME512511
-
-
14.95754116
-
Aspartyl-Histidine
Asp-His
ME512443
-
-
14.99185277
-
Citicoline
CDP-choline
ME512491
-
C00307
15.0117482
-
Glutamylproline
Glu-Pro
ME512446
-
-
15.06048595
-
Glu/Ile/Ile/Pro
-
ME512524
-
-
15.07384013
-
Thr/Ala/Pro
Thr-Ala-Pro
ME512470
-
-
15.23961401
-
Lysyl-Proline
Lys-Pro
ME512462
-
-
15.27390972
-
Prolyl-Arginine
Pro-Arg
ME512463
-
-
15.34778341
-
Threoninyl-Arginine
-
ME512455
-
-
15.37492646
-
Glycerol 1-propanoate diacetate
-
ME512447
-
-
15.49371488
-
platensimycin
-
ME512528
-
-
15.4942166
-
Lysyl-Histidine
Lys-His
ME512471
-
-
15.51042582
-
Aspartyl-L-proline
Asp-Pro
ME512607
-
-
15.55732631
-
Ala/Glu/Glu/His
-
ME512514
-
-
15.66904549
-
Ala/Asp/Gly/Pro
-
ME512488
-
-
15.69256131
-
Citrulline
Citrulline
ME512581
-
C00327
15.76172597
-
Tromethamine
2-Amino-2-methylol-propane-1,3-diol
ME512561
-
C07182
16.20022388
-
Asparaginyl-Arginine
Asn-Arg
ME512454
-
-
16.2598931
-
Adenosylmethionine
S-Adenosylmethionine
ME512496
-
C00019
16.31820448
-
diuron
Diuron
ME512604
-
-
16.47343973
-
2-hydroxy-3-[-3-oxoprop-1-en-1-yl]-2H-pyran-6-carb...
-
ME512620
-
-
17.16489995
-
Glu/Glu/Pro
Glu-Glu-Pro
ME512494
-
-
17.18821068
-
Cys/His/Pro/Gln/Thr
-
ME512527
-
-
17.21551676
-
N-Acetylputrescine
N-Acetylputrescine
ME512584
-
C02714
19.91139164
-
Choline
Choline
ME512570
-
C00114
20.75596384
-
Ile/Lys/Pro
Ile-Lys-Pro
ME512507
-
-
20.77471056
-
Arg-OEt
Ethyl arginate
ME512602
-
C01404
21.40655239
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME512619
-
C03793
21.49880714
-
FA hydroxy(7:0)
-
ME512593
-
-
21.6640718
-
Ornithine
Ornithine
ME512569
-
C01602_C00515_C00077
22.19805837
-
N4-Acetylaminobutanal
N4-Acetylaminobutanal
ME512578
-
C05936
22.72628979
-
Lysine
Lysine
ME512585
-
C00047_C00739
22.83615858
-
Arginine
Arginine
ME512586
-
C00792_C00062
24.23542737
-
Elaeokanine C
Elaeokanine C
ME512472
-
C10592
27.9549565
-
2-chlorohexadecanol
2-Chlorohexadecanol
ME512505
-
-
28.86988393
-
19-hydroxy-1,1,1-trifluoro-10(Z)-nonadecen-2-one
-
ME512516
-
-
30.76814487
-
TG(22:4/22:5/22:5)
TG 22:4/22:5/22:5*
ME512577
-
-
3.545241239
-
PC(29:0)
PC 29:0
ME512543
-
-
3.681262274
-
DG(18:1/16:0/0:0)
DG 18:1/16:0/0:0*
ME512542
-
-
3.706949145
-
Asp/Lys/Lys/Arg/Trp
-
ME512541
-
-
3.711858783
-
FA oxo(19:0)
-
ME512517
-
-
3.739126999
-
Athanacalvic acid
-
ME512508
-
-
3.79827504
-
9'-Carboxy-alpha-chromanol
-
ME512530
-
-
3.801500746
-
4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-...
4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
ME512539
-
-
3.814870185
-
PC(18:2/22:4)
PC 18:2/22:4
ME512560
-
C00157
3.81823685
-
PC(16:1/22:5)
PC 16:1/22:5*
ME512556
-
C00157
3.824795639
-
PC(16:1/22:4)
PC 16:1/22:4*
ME512557
-
C00157
3.825607045
-
PC(18:1/18:1)
PC 18:1/18:1
ME512555
-
C00157
3.838517574
-
PE(37:1)
PE 37:1
ME512553
-
-
3.861946481
-
Arg/Phe/Cys/Pro
-
ME512526
-
-
3.878935081
-
PC(14:0/18:1)
PC 14:0/18:1
ME512548
-
C00157
3.886950041
-
PE(20:0/18:1)
PE 20:0/18:1*
ME512554
-
C00350
3.895109652
-
PC(14:0/16:0)
PC 14:0/16:0
ME512544
-
C00157
3.899007028
-
Tributyl phosphate
Tributyl phosphate
ME512474
-
C14439
3.931735109
-
20-hydroxy-fusarin
-
ME512522
-
-
4.078511422
-
Gly/Arg/Trp/Trp/Trp
-
ME512550
-
-
4.097907043
-
SM(d34:1)
SM 34:1;O2
ME512546
-
-
4.103428061
-
SM(d42:3)
SM 42:3;O2
ME512558
-
-
4.130005298
-
Gravolenic acid
-
ME512480
-
-
4.163823727
-
15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-di...
-
ME512525
-
C14922
4.189814049
-
SM(d18:1/24:1)
SM 18:1;O2/24:1
ME512559
-
C00550
4.226119326
-
Termitomycesphin A
Termitomycesphin A
ME512551
-
-
4.233310512
-
Cys/His/Ile/Ile/Lys
-
ME512536
-
-
4.296319299
-
Ala/Met/Ala/Pro
-
ME512503
-
-
4.324596485
-
Stearoylcarnitine
CAR 18:0
ME512533
-
-
4.383358313
-
Ala/Asn/Pro/Ser
-
ME512497
-
-
4.448785093
-
3',4',5'-Trimethoxycinnamyl alcohol acetate
-
ME512484
-
-
4.641164498
-
PE(19:0)
PE 19:0
ME512531
-
-
4.686972187
-
3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
-
ME512521
-
-
4.691872741
-
PC(16:1/18:1)
PC 16:1/18:1
ME512552
-
C00157
5.145407024
-
Isothipendyl
-
ME512502
-
-
5.228019259
-
Didodecyl thiobispropanoate
Didodecyl thiobispropanoate
ME512540
-
-
5.316325405
-
PE(20:0/15:0)
PE 20:0/15:0*
ME512549
-
C00350
5.344125473
-
2-Phenylethyl beta-D-glucopyranoside
-
ME512487
-
-
5.42641962
-
Ala/Lys/Met/Gly
-
ME512504
-
-
5.625676312
-
DG(18:1/18:0/0:0)
DG 18:1/18:0/0:0*
ME512545
-
C00165
5.768090338
-
Etamiphylline
-
ME512478
-
-
5.931231582
-
triethylene glycol
-
ME512587
-
-
6.16848547
-
Tetraethylene glycol
Tetraethylene glycol
ME512603
-
-
6.486513044
-
Rhamnose
Rhamnose
ME512580
-
C00507
6.519243849
-
Ala/Ala/Asp/Glu/Trp
-
ME512534
-
-
6.521973782
-
(citryl)-N-(3-aminopropyl)-N-hydroxyacetamide
-
ME512457
-
-
6.567639428
-
TG(16:1/18:0/18:1)
TG 16:1/18:0/18:1
ME512564
-
C00422
7.103553617
-
Fluspirilene
Fluspirilene
ME512538
-
-
7.505992126
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME512456
-
C00170
7.526450991
-
Phenylalanyl-Histidine
Phe-His
ME512493
-
-
7.536383279
-
Niacinamide
Niacinamide
ME512588
-
C00153
7.538208308
-
Sphinganine
Sphinganine
ME512512
-
C00836
7.540328697
-
aminononanoic acid
Aminononanoic acid
ME512618
-
-
7.543414445
-
Histidinyl-Leucine
His-Leu
ME512468
-
C05010
7.636418446
-
2-Hydroxypyridine
2-Hydroxypyridine
ME512574
-
C02502
7.643759378
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME512599
-
C02727
7.871219817
-
Asp/Leu/Phe/His
-
ME512532
-
-
7.984826858
-
Lysopine
D-Lysopine
ME512617
-
C04020
8.156039455
-
Methyl 7-epi-12-hydroxyjasmonate glucoside
-
ME512515
-
-
8.179315748
-
Lenticin
Lenticin
ME512482
-
C09213
8.328044744
-
9-mercaptodethiobiotin
-
ME512453
-
-
8.382324567
-
quinonoid dihydro-(6H)-biopterin
-
ME512442
-
-
8.396258786
-
Prolyl-Tryptophan
Pro-Trp
ME512500
-
-
8.564815026
-
Dethiobiotin
Dethiobiotin
ME512452
-
C01909
8.565270086
-
Gly/Ser/Tyr
Gly-Ser-Tyr
ME512485
-
-
8.620998182
-
Ala/Leu/Asn/Pro
-
ME512509
-
-
8.922809695
-
Hydroxyprolyl-Tryptophan
-
ME512501
-
-
9.158714
-
Mycinose
Mycinose
ME512600
-
C11913
9.250878287
-
Temurin
Temurin
ME512605
-
-
9.285264132
-
Ala/Val/Gly/Pro
-
ME512498
-
-
9.327347444
-
Pramipexole
Pramipexole
ME512450
-
-
9.380457795
-
Ala/Val/Asn/Pro
-
ME512506
-
-
9.517147345
-
Cys/Gly/Pro
Cys-Gly-Pro
ME512449
-
-
9.771710526
-
Ala/Ala/Ala/Pro
-
ME512490
-
-
9.827468444
-
Hypoxanthine
Hypoxanthine
ME512572
-
C00262
9.934761449
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Threoninyl-Tyrosine
-
ME512677
-
-
10.01942111
-
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrr...
-
ME512704
-
-
10.12883465
-
Ala/Ala/Ala
Ala-Ala-Ala
ME512931
-
-
10.15537987
-
Orotic acid
Orotic acid
ME512851
-
C00295
10.30263983
-
PI(20:0/20:3)
PI 20:0/20:3
ME512833
-
-
10.32830889
-
15(R)-hydroperoxy-EPE
-
ME512914
-
-
10.37151107
-
2-Keto-glutaramic acid
2-Keto-glutaramic acid
ME512855
-
C00940
10.5419319
-
gamma-Glutamylisoleucine
gamma-Glutamylisoleucine
ME512657
-
-
10.76180366
-
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide
-
ME512653
-
-
10.78114911
-
Asn/Gly/Pro/Pro
-
ME512707
-
-
10.85667805
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME512771
-
C05123
10.99869834
-
Ala/Ala/Asp/Tyr
-
ME512734
-
-
11.06015786
-
Phenylalanyl-Aspartate
Phe-Asp
ME512674
-
-
11.07144395
-
Hydroxyprolyl-Proline
-
ME512630
-
-
11.10571914
-
Threoninyl-Threonine
Thr-Thr
ME512910
-
-
11.13990703
-
Threoninyl-Histidine
-
ME512632
-
-
11.3173728
-
Asp/Phe/Pro/His
-
ME512757
-
-
11.32902033
-
Glu/Ser/Val
Glu-Ser-Val
ME512683
-
-
11.44128514
-
Ala/Ala/Ser
Ala-Ala-Ser
ME512932
-
-
11.89487026
-
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]...
-
ME512703
-
C11571
11.98480602
-
Prolyl-Histidine
Pro-His
ME512651
-
-
12.06610177
-
beta-aspartyl-L-leucine
-
ME512635
-
-
12.12286313
-
Gluconolactone
Gluconolactone
ME512864
-
C00198
12.17176664
-
Threoninyl-Serine
-
ME512892
-
-
12.17372196
-
N-a-Acetylcitrulline
N-Acetylcitrulline
ME512906
-
C15532
12.17699826
-
Isoleucyl-Lysine
Ile-Lys
ME512671
-
-
12.22350881
-
Serylhistidine
Ser-His
ME512925
-
-
12.29994127
-
Orotidine
Orotidine
ME512625
-
C01103
12.31499564
-
2,3,4-trihydroxy-butanoic acid
Threonic acid
ME512843
-
C01620
12.40550356
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME512876
-
C03274
12.48370608
-
Quinic acid
Quinic acid
ME512887
-
C06746_C00296
12.64323176
-
Ala/Gly/Ser
Ala-Gly-Ser
ME512907
-
-
12.66315961
-
Tyrosine
Tyrosine
ME512919
-
C06420_C00082_C01536
12.681607
-
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME512652
-
C04521
12.88761227
-
Asp/Pro/Ser
Asp-Pro-Ser
ME512670
-
-
12.89186225
-
Alanyl-Asparagine
Ala-Asn
ME512888
-
-
13.00915522
-
Alanyl-Serine
Ala-Ser
ME512866
-
-
13.11884402
-
Serylserine
Ser-Ser
ME512867
-
-
13.13804825
-
monomer
-
ME512938
-
-
13.2956819
-
Lysyl-Valine
Lys-Val
ME512665
-
-
13.39982551
-
Fenugreekine
-
ME512742
-
-
13.43322813
-
2,3,4,5-Tetrahydroxypentanoic acid
-
ME512846
-
C01685_C05411_C05412_C00502_C00878
13.57712943
-
Ala/Ala/Ala/Asp
-
ME512681
-
-
13.62745141
-
1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol
1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol
ME512889
-
C04673
13.63807807
-
Cyclic ADP-ribose
Cyclic ADP-ribose
ME512697
-
C13050
13.67945262
-
N2-Succinyl-L-ornithine
N2-Succinylornithine
ME512927
-
C03415
13.70178597
-
Mannitol
Mannitol
ME512875
-
C00392
13.78179118
-
Asparaginyl-Asparagine
Asn-Asn
ME512904
-
-
13.80240082
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME512923
-
-
13.83445076
-
Ala/Leu/Thr/Ala
-
ME512710
-
-
13.84234287
-
Ala/Ile/Ile/Lys
-
ME512745
-
-
13.84567376
-
gamma-Glutamyltyrosine
gamma-Glutamyltyrosine
ME512688
-
-
13.86387982
-
Glutamylglutamic acid
Glu-Glu
ME512631
-
C01425
13.91941571
-
Gluconic acid
Gluconic acid
ME512870
-
C00880_C15930_C00257_C00800_C00514_C00770
13.94497097
-
2-C-Methyl-D-erythritol 4-phosphate
-
ME512850
-
C11434
14.0142984
-
Bay-K-8644
-
ME512701
-
C13758
14.07722992
-
Fenamiphos
Fenamiphos
ME512682
-
C18659
14.08283339
-
Nicotinic acid adenine dinucleotide
Nicotinic acid adenine dinucleotide
ME512741
-
C00857
14.13960796
-
N-Acetylglutamic acid
N-Acetylglutamic acid
ME512883
-
C00624
14.14890805
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME512834
-
C13482
14.18575831
-
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME512921
-
C05931
14.2861334
-
Glutathione
Glutathione
ME512634
-
C02471_C00051
14.32197173
-
Glutamic acid
Glutamic acid
ME512859
-
C00217_C00025_C00302
14.4294775
-
Threonine
Threonine
ME512844
-
C05519_C12317_C00188_C00820
14.44000218
-
4-Nitrophenyl-3-ketovalidamine
-
ME512675
-
C03995
14.44519905
-
4-Oxoproline
4-Oxo-proline
ME512854
-
C01877
14.5766138
-
Glu/Ala/Ser
Glu-Ala-Ser
ME512655
-
-
14.6247149
-
Glucuronate
Glucuronic acid
ME512865
-
C00191
14.64456316
-
Glutamylthreonine
Glu-Thr
ME512928
-
-
14.72347278
-
Aspartic acid
Aspartic acid
ME512840
-
C00049_C00402
14.77363688
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME512796
-
C00093_C00623
14.8160259
-
phosphinomethylisomalate
-
ME512861
-
-
14.82184737
-
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME512911
-
C00357
14.86108939
-
Gly/Lys/Lys/Met/Arg
-
ME512763
-
-
14.9031436
-
3'-UMP
3'-UMP
ME512920
-
C01368
14.94730797
-
CMP-2-aminoethylphosphonate
CMPciliatine
ME512658
-
C05673
14.96787008
-
nicotinate beta-D-ribonucleotide
Nicotinic acid mononucleotide
ME512650
-
C01185
15.1454955
-
gamma-Glutamylalanine
gamma-Glutamylalanine
ME512902
-
C03740_C03738
15.1658738
-
Sorbitol-6-phosphate
Pseudouridine
ME512877
-
C00644_C02810_C01096
15.16600792
-
ADP
ADP
ME512629
-
C00008
15.23149377
-
Uridine diphosphate-N-acetylglucosamine
UDP-N-acetylglucosamine
ME512717
-
C00043_C01170_C00203
15.26800002
-
Thr/Thr/Ser
Thr-Thr-Ser
ME512662
-
-
15.28507685
-
Succinic acid
Succinic acid
ME512837
-
C00042
15.33925874
-
Asparagine
Asparagine
ME512841
-
C00152_C01905
15.35524133
-
N2-gamma-Glutamylglutamine
gamma-Glutamylglutamine
ME512633
-
C05283
15.37844913
-
Hydantoin-5-propionic acid
Hydantoin-5-propionic acid
ME512878
-
C05565
15.39379117
-
Carglumic acid
Carglumic acid
ME512862
-
C05829
15.44615505
-
Inosinic acid
IMP
ME512626
-
C00130
15.45682277
-
kifunensine
-
ME512898
-
-
15.52685799
-
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME512858
-
C03196_C01087_C02630
15.53646727
-
Lysyl-Threonine
Lys-Thr
ME512644
-
-
15.5615062
-
Serine
Serine
ME512793
-
C00065_C00740_C00716
15.61417967
-
O-Phosphoethanolamine
Phosphoethanolamine
ME512773
-
C00346
15.63425255
-
[ST (12:0) homo-seco-cholestatrien-tetrol
-
ME512767
-
-
15.66701581
-
beta-aspartyl-L-threonine
-
ME512903
-
-
15.6782868
-
Ala/Asp/Gly
Ala-Asp-Gly
ME512926
-
-
15.69579559
-
3-(Phosphoacetylamido)-L-alanine
3-(Phosphoacetylamido)-L-alanine
ME512848
-
C04111
15.69936023
-
Ribose 5-phosphate
Ribose 5-phosphate
ME512849
-
C00117
15.7677358
-
Cytidine monophosphate
CMP
ME512924
-
C00055
15.84886068
-
2-C-methyl-D-erythritol-2,4-cyclodiphosphate
-
ME512847
-
-
15.97331934
-
Melanin
Melanin
ME512722
-
C05606
16.00035352
-
Asparaginyl-Aspartic acid
Asn-Asp
ME512900
-
-
16.01802898
-
Sulfinpyrazone sulfide
-
ME512751
-
-
16.04047637
-
Ile/Lys/Gln/Tyr
-
ME512764
-
-
16.04703003
-
Oxoglutaric acid
2-Oxoglutaric acid
ME512852
-
C00026
16.1261993
-
Ile/Asp/Asp
Ile-Asp-Asp
ME512692
-
-
16.16062103
-
Ala/Glu/Gln/Glu
-
ME512723
-
-
16.1912179
-
beta-aspartyl-L-serine
-
ME512885
-
-
16.24507275
-
CDP-Ethanolamine
CDP-Ethanolamine
ME512659
-
C00570
16.26182797
-
Pro/Pro/Ser/Thr/Thr
-
ME512744
-
-
16.28085001
-
Lysyl-Asparagine
Lys-Asn
ME512642
-
-
16.29943596
-
beta-aspartyl-L-alanine
-
ME512884
-
-
16.36257619
-
Sedoheptulose 7-phosphate(2-)
Sedoheptulose 7-phosphate
ME512894
-
C05382
16.37922454
-
Malic acid
Malic acid
ME512838
-
C00149_C03668_C00497
16.4069094
-
Gamma glutamyl ornithine
gamma-Glutamylornithine
ME512638
-
-
16.40977114
-
Glu/Met/Met
Glu-Met-Met
ME512699
-
-
16.41101065
-
Lysyl-Serine
Lys-Ser
ME512935
-
-
16.45772293
-
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME512873
-
C00352
16.49746989
-
Glu/Ala/Glu
Glu-Ala-Glu
ME512680
-
-
16.61832629
-
Uridine diphosphate glucose
UDP-glucose
ME512698
-
C00029_C00052
16.69611843
-
Lysyl-Glycine
Lys-Gly
ME512913
-
-
16.77663863
-
Guanosine 3'-phosphate
Guanosine 3'-monophosphate
ME512627
-
C06193
16.8669122
-
Uridine 5'-diphosphate
UDP
ME512922
-
C00015
16.86960792
-
NADP
NADP
ME512743
-
C00006
16.90349116
-
2-Amino-2-deoxy-D-gluconate
Glucosaminic acid
ME512871
-
C03752
17.05240922
-
Glucose
Glucose
ME512869
-
C00031_C00221
17.05309696
-
glutathione sulfinate
-
ME512628
-
-
17.23421941
-
Ureidosuccinic acid
N-Carbamoylaspartic acid
ME512856
-
C00438
17.31735096
-
2-Hydroxy-3-(phosphonatooxy)propanoate
3-Phosphoglyceric acid
ME512794
-
C00197
17.44285953
-
Hexose phosphate
Hexose 6-phosphate
ME512872
-
C02965_C02962
17.45008797
-
Oxidized glutathione
Oxidized glutathione
ME512737
-
C00127
17.50894743
-
actinorhodin
Actinorhodin
ME512777
-
-
17.5305088
-
beta-aspartyl-L-aspartic acid
-
ME512899
-
-
17.64521045
-
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME512791
-
C00074
18.32372779
-
2-hydroxy-3-(sulfooxy)butanedioic acid
-
ME512839
-
-
18.38929475
-
Met/Cys/Cys
Met-Cys-Cys
ME512661
-
-
18.66129825
-
Sulfoacetate
Sulfoacetic acid
ME512770
-
C14179
18.73350724
-
Citric acid
Citric acid
ME512880
-
C00158
18.90480444
-
N-(4-oxoglutaryl)-L-cysteinylglycine
-
ME512624
-
-
19.01398336
-
2,6-Dioxo-6-phenylhexanoate
-
ME512666
-
C03750
22.74376328
-
5'-Oxoinosine
-
ME512621
-
C01993
22.75728064
-
Ala/Asp/Ile/Ile/Gln
-
ME512758
-
-
28.76810869
-
Gly/Lys/Pro/Pro/Val
-
ME512755
-
-
28.81230442
-
castasterone 22-O-sulfate
-
ME512769
-
-
29.00509414
-
Dimethylthiophosphate
Dimethylthiophosphate
ME512772
-
-
29.27629542
-
Pipercyclobutanamide A
-
ME512779
-
-
3.410888395
-
PG(18:2/22:4)
PG 18:2/22:4*
ME512828
-
-
3.520252603
-
PG(18:0/22:5)
PG 18:0/22:5*
ME512830
-
-
3.549545636
-
PG(16:0/22:5)
PG 16:0/22:5*
ME512821
-
-
3.554651736
-
PG(18:0/18:1)
PG 18:0/18:1
ME512814
-
-
3.55473246
-
PG(18:0/18:2)
PG 18:0/18:2
ME512811
-
-
3.558786827
-
PG(34:1)
PG 34:1
ME512800
-
-
3.571579145
-
PG(34:2)
PG 34:2
ME512798
-
-
3.574649115
-
PA(18:0/18:2)
PA 18:0/18:2
ME512788
-
C00416
3.607023647
-
Cholesterol sulfate
Cholesterol sulfate
ME512765
-
C18043
3.610419998
-
PE-NMe(11M3/11M5)
-
ME512829
-
-
3.61053598
-
PS(18:1/20:3)
PS 18:1/20:3
ME512822
-
C02737
3.614678058
-
PS(18:1/20:4)
PS 18:1/20:4
ME512820
-
-
3.621371045
-
PA(16:0/18:2)
PA 16:0/18:2*
ME512782
-
C00416
3.621876325
-
PI(18:2/20:2)
PI 18:2/20:2*
ME512832
-
C00626
3.622090363
-
PI(18:1/20:4)
PI 18:1/20:4
ME512831
-
C00626
3.622824538
-
PS(18:1/18:1)
PS 18:1/18:1
ME512810
-
-
3.623839489
-
PS(16:0/22:6)
PS 16:0/22:6
ME512819
-
-
3.624490343
-
PS(18:1/18:0)
PS 18:1/18:0*
ME512812
-
C02737
3.626268434
-
PI(14:0/22:1)
PI 14:0/22:1*
ME512827
-
-
3.627919328
-
PA(16:0/20:4)
PA 16:0/20:4
ME512786
-
-
3.630794699
-
PS(18:1/18:2)
PS 18:1/18:2
ME512809
-
-
3.631162275
-
PS(18:3/18:1)
PS 18:3/18:1*
ME512808
-
-
3.631978058
-
PS(16:1/18:0)
PS 16:1/18:0*
ME512799
-
-
3.632096488
-
PI(18:2/18:0)
PI 18:2/18:0*
ME512826
-
C00626
3.634554371
-
PA(16:0/18:1)
PA 16:0/18:1
ME512783
-
C00416_C13889
3.638507897
-
PS(18:2/16:0)
PS 18:2/16:0*
ME512797
-
-
3.638616649
-
Adlupone
-
ME512776
-
-
3.647289121
-
Polystyrene sulfonate
-
ME512917
-
-
3.665507231
-
2-Dodecylbenzenesulfonic acid
2-Dodecylbenzenesulfonic acid
ME512725
-
-
3.669482588
-
N-Undecylbenzenesulfonic acid
N-Undecylbenzenesulfonic acid
ME512719
-
-
3.688584071
-
sodium dodecyl sulfate
Blasticidin S
ME512672
-
-
3.695449973
-
PA(16:0/22:2)
PA 16:0/22:2*
ME512805
-
-
3.703462692
-
2-(4-sulfophenyl)decane
-
ME512708
-
-
3.70833696
-
Arachidic acid
Arachidic acid
ME512740
-
C06425
3.73669563
-
Armillatin
-
ME512785
-
-
3.743455815
-
Stearic acid
Stearic acid
ME512729
-
C01530
3.74553404
-
1-Stearoylglycerophosphoglycerol
LPG 18:0
ME512760
-
-
3.752824562
-
mercapto-2-propanol
-
ME512795
-
-
3.759168404
-
Docosapentaenoic acid (22n-6)
Docosapentaenoic acid (22n-6)
ME512748
-
-
3.759994761
-
Heptadecanoic acid
Margaric acid
ME512721
-
-
3.761057237
-
Asp/Phe/Asn/Gln/Tyr
-
ME512775
-
-
3.764538397
-
Tryptophan
Tryptophan
ME512645
-
C00806_C00078_C00525
3.765148539
-
Alvaradoic acid
-
ME512724
-
C07289_C06426_C08364_C08315_C06427
3.767172484
-
6,10,14,18-eicosatetraenoic acid
-
ME512738
-
C00219
3.770670171
-
FA methyl(16:1)
-
ME512720
-
-
3.775392748
-
Eicosatrienoic acid
Eicosatrienoic acid
ME512739
-
C03242_C16522
3.779763138
-
Palmitic acid
Palmitic acid
ME512713
-
C00249
3.781505806
-
2-Hydroxystearic acid
2-Hydroxystearic acid
ME512730
-
C03042_C03045
3.781738381
-
Quinalphos
Quinalphos
ME512667
-
C11030
3.783158323
-
1-(octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glyce...
-
ME512759
-
-
3.785273676
-
Glu/Phe/Gln/Gln/Tyr
-
ME512778
-
-
3.785278962
-
3-Oxooctadecanoic acid
-
ME512728
-
-
3.792985501
-
2-Hydroxyhexadecanoic acid
2-Hydroxypalmitic acid
ME512714
-
-
3.795503611
-
Hypogeic acid
7Z-Hexadecenoic acid
ME512711
-
C08362
3.798978258
-
1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycero...
-
ME512750
-
-
3.799067541
-
FA methyl(14:0)
-
ME512700
-
C16665
3.811606521
-
Phe/Lys/Met/Met/Trp
-
ME512781
-
-
3.816718126
-
epsilon-Tocopherol
-
ME512766
-
C14154
3.817014479
-
Myristic acid
Myristic acid
ME512693
-
C06424
3.829362333
-
FA oxo(16:0)
-
ME512712
-
-
3.835087685
-
Retinyl ester
Retinyl ester
ME512736
-
C02075
3.839985835
-
meso-tartrate
-
ME512835
-
-
3.844862493
-
PE(14:0/22:4)
PE 14:0/22:4
ME512804
-
C00350
3.869540379
-
FA methyl(12:0) dodecanoic acid
Lauric acid
ME512686
-
-
3.88179203
-
Antirhine
Antirhine
ME512733
-
C09033
3.891547836
-
PS(O-36:1)
PS O-36:1
ME512815
-
-
3.893115797
-
Phytuberin
Phytuberin
ME512715
-
C09709
3.896031886
-
Botrydial
Botrydial
ME512716
-
C09622
3.896688412
-
Prehumulinic acid
-
ME512706
-
-
3.903250812
-
Rishitin
Rishitin
ME512691
-
C09715
3.904675337
-
avenolide
-
ME512679
-
-
3.920099308
-
PE(18:2/16:1)
PE 18:2/16:1
ME512787
-
C00350
3.922955269
-
PC(35:6)
PC 35:6
ME512817
-
-
3.928425424
-
N-Palmitoylsphingosine
Cer 18:1;O2/16:0
ME512780
-
C00195
3.934913997
-
DGCC(20:5/20:5)
-
ME512845
-
-
3.960964939
-
Isotridecenoic acid
-
ME512684
-
-
3.963634173
-
PE(18:1/18:1)
PE 18:1/18:1
ME512806
-
C00350
3.969095612
-
PE(18:1/18:4)
PE 18:1/18:4*
ME512802
-
C00350
3.979406149
-
Undecanoic acid
Undecylic acid
ME512664
-
C17715
3.996358678
-
Capric acid
Capric acid
ME512643
-
C01571
4.015903639
-
PE(O-18:1/20:4)
PE O-18:1/20:4
ME512818
-
C00350
4.026304372
-
PS(O-16:0/22:1)
PS O-16:0/22:1
ME512823
-
-
4.034307901
-
methyl dihydroxy-11R,18-diacetoxy-prostadienoate
-
ME512762
-
-
4.050165873
-
PE(18:3/P-18:1)
-
ME512803
-
C00350
4.05360264
-
Cer(d18:1/24:1)
Cer 18:1;O2/24:1
ME512813
-
C00195
4.056313137
-
xi-gamma-Undecalactone
gamma-Undecalactone
ME512660
-
C08571
4.067671745
-
Grayanotoxin I
Grayanotoxin I
ME512749
-
C09103
4.078536527
-
Diacetyl
Diacetyl
ME512836
-
C00741
4.080525448
-
FA methyl(8:0)
-
ME512934
-
-
4.090584056
-
Aliarin 4'-methyl ether
-
ME512752
-
-
4.092684214
-
1-O-Cinnamoyl-beta-D-glucose
1-O-trans-Cinnamoyl-beta-D-glucose
ME512696
-
C04164
4.094270177
-
1-18:2-2-18:2-monogalactosyldiacylglycerol
-
ME512824
-
-
4.110141219
-
Oleic acid
Oleic acid
ME512727
-
C01712_C00712_C08363_C08367
4.119358305
-
PC(29:1)
PC 29:1
ME512784
-
-
4.126225455
-
2-Exo-hydroxy-1,8-cineole
6-endo-Hydroxycineole
ME512636
-
C03092_C20326
4.138307256
-
Butyric acid
Butyric acid
ME512842
-
C00246
4.164221755
-
Lysergic acid
Lysergic acid
ME512702
-
C07541
4.168360539
-
Eupatocunin
-
ME512747
-
C09437
4.168416729
-
PE(18:0/18:1)
PE 18:0/18:1
ME512807
-
C00350
4.203793027
-
Vomifoliol
Vomifoliol
ME512678
-
C04166_C01760
4.206626804
-
Caprylic acid
Caprylic acid
ME512912
-
C06423
4.228254368
-
arabinonate
Arabinonic acid
ME512860
-
C00545
4.233747786
-
PA(P-42:4)
PA P-42:4
ME512825
-
-
4.249019302
-
Cer(d18:0/22:1)
Cer 18:0;O2/22:1
ME512801
-
-
4.255391238
-
Hydroxyphenylacetylglycine
Hydroxyphenylacetylglycine
ME512623
-
C05596
4.278737761
-
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylprop...
-
ME512649
-
-
4.316652639
-
Phenylacetaldehyde
Phenylacetaldehyde
ME512915
-
C00601
4.341946411
-
FA methyl (8:1)
-
ME512929
-
-
4.342817401
-
N-Undecanoylglycine
N-Undecanoylglycine
ME512685
-
-
4.374574634
-
2-Aceto-2-hydroxybutanoic acid
-
ME512863
-
C00659_C06006
4.44804128
-
2-Methylhexanoic acid
-
ME512893
-
-
4.466949949
-
ancymidol
Ancymidol
ME512694
-
-
4.478013893
-
dihydroxy-15-oxo-2,3,4,5-tetranor-prostan-1,20-dio...
-
ME512709
-
-
4.526969961
-
FA oxo(9:0) oxo-nonanoic acid
Oxononanoic acid
ME512930
-
-
4.645039832
-
Lys/Lys/Trp/Pro
-
ME512768
-
-
4.649250031
-
Secobarbital
Secobarbital
ME512669
-
-
4.669272448
-
sn-glycero-3-phospho-N-(palmitoyl)ethanolamine
-
ME512746
-
-
4.685424974
-
Retronecine
Retronecine
ME512901
-
C06177_C10321
4.726792753
-
N-D-Glucosylarylamine
N-D-Glucosylarylamine
ME512668
-
C03142
4.756587499
-
Scytalone
Scytalone
ME512622
-
C00779
4.758152882
-
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amin...
-
ME512646
-
-
4.762364036
-
Caproic acid
Caproic acid
ME512868
-
C01585
4.779058661
-
FA oxo(7:0)
-
ME512886
-
-
4.786377528
-
Isopropylmaleate
Isopropylmaleate
ME512882
-
C02631
4.812388434
-
N-Acetylleucine
N-Acetylleucine
ME512908
-
C02710
4.826656041
-
PE(16:1/18:1)
PE 16:1/18:1
ME512789
-
C00350
4.854753595
-
PE(18:0/16:1)
PE 18:0/16:1
ME512790
-
C00350
5.6933053
-
Phenylacetic acid
Phenylacetic acid
ME512916
-
C07086
5.946014358
-
Hippuric acid
Hippuric acid
ME512936
-
C01586
6.405638604
-
Isoleucyl-Valine
Ile-Val
ME512663
-
-
6.491291696
-
Methionyl-Valine
Met-Val
ME512640
-
-
6.503395081
-
2-oxo-5-chloro-4-pentenoate
-
ME512853
-
-
6.513105335
-
Pilosine
-
ME512705
-
C10610
6.516167886
-
Suberic acid
Suberic acid
ME512905
-
C08278
6.521604344
-
Dide-O-methylsimmondsin
-
ME512690
-
-
6.534682174
-
N-Lignoceroylsphingosine
Cer 18:1;O2/24:0
ME512816
-
C00195
7.064873598
-
octadecadienoic acid
Octadecadienoic acid
ME512726
-
C04056_C01595_C08459
7.379368857
-
Genipinic acid
-
ME512648
-
-
7.465571155
-
Dopamine
Dopamine
ME512897
-
C03758
7.485000677
-
Valyl-Valine
Val-Val
ME512639
-
-
7.493766615
-
Isoleucyl-Alanine
Ile-Ala
ME512933
-
-
7.494102732
-
Phenylalanyl-Glycine
Phe-Gly
ME512647
-
-
7.494183282
-
Phenylalanyl-Threonine
Phe-Thr
ME512676
-
-
7.495863851
-
Lys/Lys/Tyr/Tyr
-
ME512774
-
-
7.495890299
-
Ala/Glu/Ile/Pro/Thr
-
ME512754
-
-
7.495892066
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME512732
-
C12600
7.495892066
-
Isoleucyl-Threonine
Ile-Thr
ME512641
-
-
7.496688575
-
Ala/Leu/Trp/Ser
-
ME512753
-
-
7.496690315
-
N-Acetyl-L-methionine
N-Acetylmethionine
ME512890
-
C02712
7.496711383
-
2,3,4,5-Tetrahydropiperidine-2-carboxylate
(S)-1-Piperideine-6-carboxylic acid
ME512881
-
C00450
7.498504878
-
Dihydro-4,4-dimethyl-2,3-Furandione
2-Dehydropantolactone
ME512879
-
C01125
7.498728987
-
Benzoic acid
Benzoic acid
ME512895
-
C00539_C00180
7.500033304
-
Valyl-Tyrosine
Val-Tyr
ME512689
-
-
7.501739943
-
Polypropylene glycol (m w 1,200-3,000)
-
ME512874
-
-
7.502027517
-
Isoleucylproline
Ile-Pro
ME512656
-
-
7.503116675
-
Trigonelline
Trigonelline
ME512896
-
C01004
7.503915753
-
Ile/Phe/Pro/Pro
-
ME512761
-
-
7.524265785
-
Sphinganine 1-phosphate
Sphinganine 1-phosphate
ME512731
-
C01120
7.527494678
-
alpha-Ketoisovaleric acid
Ketoisovaleric acid
ME512857
-
C00141
7.974928239
-
Dibenzo[a,l]pyrene
-
ME512756
-
C19174
8.166898905
-
Thr/Trp/Pro
Thr-Trp-Pro
ME512735
-
-
8.175742321
-
Tryptophyl-Glycine
Trp-Gly
ME512673
-
-
8.266756643
-
Monomethyl sulfate
Methyl sulfate
ME512937
-
C02704
8.830568043
-
N-Acetylornithine
N-Acetylornithine
ME512891
-
C00437
9.045211364
-
Isoleucyl-Asparagine
Ile-Asn
ME512637
-
-
9.052594744
-
Valyl-Histidine
Val-His
ME512654
-
-
9.071126249
-
N-lactoyl-Tryptophan
N-Lactoyl tryptophan
ME512687
-
-
9.174531759
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME512909
-
C03955
9.404436881
-
Lactic acid
Lactic acid
ME512792
-
C00256_C00186
9.534811578
-
Asp/Val/Pro/Ser
-
ME512718
-
-
9.555646718
-
Phenylalanine
Phenylalanine
ME512918
-
C00079_C02265
9.727456665
-
Tryptophyl-Asparagine
Trp-Asn
ME512695
-
-
9.814027829
-
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