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Return to study ST001548 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
D-Apiitol
Apiitol
ME375997
-
C01569
10.01358482
-
2-amino-6-hydroxymethyl-7,7-dimethyl-7,8-dihydropt...
-
ME376123
-
-
10.05793737
-
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-ca...
-
ME376088
-
C12245
10.06741672
-
Ala-Gly-Pro
Ala-Gly-Pro
ME376139
-
-
10.12595011
-
4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME376005
-
C04114
10.19236103
-
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine
-
ME376200
-
-
10.24640808
-
L-gamma-glutamyl-L-isoleucine
gamma-Glutamylisoleucine
ME376158
-
-
10.28539253
-
L-Leucine
Leucine
ME375988
-
C00123
10.32218831
-
O-Acetylcarnitine
CAR 2:0
ME376100
-
C02571
10.34282091
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol
-
ME376002
-
C13693
10.38076935
-
4-fluorotryptophan
-
ME376121
-
-
10.43960312
-
L-Kynurenine
Kynurenine
ME376106
-
C00328
10.4450403
-
N-Acetylglutamine
N-Acetylglutamine
ME376074
-
-
10.45666512
-
allopurinol
Allopurinol
ME375995
-
D00224
10.45702657
-
HEPES
-
ME376136
-
-
10.45757689
-
Inosine
Inosine
ME376169
-
C00294
10.52782923
-
O-Acetyl-L-homoserine
O-Acetyl-homoserine
ME376035
-
C01077
10.65555897
-
Betaine
Betaine
ME375971
-
C00719
10.76800021
-
L-Isoleucine
Isoleucine
ME375989
-
C00407
10.82806303
-
Urocanate
Urocanic acid
ME376000
-
C00785
10.83464488
-
2-nitro-1-propanol
-
ME375959
-
-
10.93086675
-
Phe-Gly
Phe-Gly
ME376122
-
-
10.94054578
-
5-Hydroxytryptophol
5-Hydroxytryptophol
ME376065
-
-
11.04535395
-
Asn-Cys-Cys
Asn-Cys-Cys
ME376223
-
-
11.08076655
-
Ala-Ala-Ala
Ala-Ala-Ala
ME376132
-
-
11.17571513
-
FAD
FAD
ME376283
-
C00016
11.19581248
-
L-Methionine
Methionine
ME376019
-
C00073
11.21584566
-
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME376028
-
C03680
11.30186991
-
γ-glutamyl-S-t-propenylcysteine
-
ME376190
-
-
11.32285817
-
L-Tryptophan
Tryptophan
ME376101
-
C00078
11.34292094
-
Methylenediurea
Methylenediurea
ME375992
-
C06381
11.38119366
-
N-Acetyl-D-glucosamine
N-Acetylglucosamine
ME376118
-
C00140
11.38618636
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME376098
-
C12986
11.41335983
-
Cycasin
Cycasin
ME376147
-
C01418
11.43573793
-
N-Formimino-L-glutamate
Formiminoglutamic acid
ME376057
-
C00439
11.45212425
-
CysteineMercaptoethanol disulfide
-
ME376086
-
-
11.46667099
-
Ala-Pro
Ala-Pro
ME376071
-
-
11.5731998
-
Imidazole-4-acetate
Imidazoleacetic acid
ME375980
-
C02835
11.6355834
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME376017
-
-
11.77576529
-
Leu-Ala
Leu-Ala
ME376096
-
-
11.84416529
-
DL-Methionine sulfone
Methionine sulfone
ME376067
-
-
11.87250553
-
Acetyl-CoA
Acetyl-CoA
ME376286
-
C00024
11.95852941
-
Glu-Met
Glu-Met
ME376180
-
-
11.97249674
-
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D...
-
ME376288
-
C04900
11.97449163
-
Ile-Arg
Ile-Arg
ME376186
-
-
11.99866664
-
3-Ureidopropionate
Ureidopropionic acid
ME375991
-
C02642
12.07510274
-
L-Valine
Valine
ME375970
-
C00183
12.10568464
-
Casein K
-
ME375984
-
C01483
12.16474304
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME376075
-
C02727
12.24734638
-
Ile-Ile-Pro
Ile-Ile-Pro
ME376226
-
-
12.35777783
-
L-Proline
Proline
ME375964
-
C00148
12.36175373
-
Leu-Pro
Leu-Pro
ME376129
-
-
12.39165005
-
DMSP-amine
-
ME375975
-
-
12.39307332
-
Ala-Thr-Ala-Ala
-
ME376221
-
-
12.4589013
-
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME376112
-
C15532
12.61193195
-
Methacholine
Methacholine
ME376031
-
C07471
12.66557083
-
4-Trimethylammoniobutanoate
3-Dehydroxycarnitine
ME376013
-
C01181
12.69721672
-
L-Carnitine
Carnitine
ME376036
-
C00487
12.69733339
-
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME376049
-
C01152
12.7050404
-
2,3,4,5-Tetrahydropyridine-2-carboxylate
(S)-1-Piperideine-6-carboxylic acid
ME375981
-
C00450
12.71786538
-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
(S)-5-Amino-3-oxohexanoate
ME376011
-
C03656
12.80346539
-
L-Tyrosine
Tyrosine
ME376068
-
C00082
12.82580838
-
Glycylproline
Gly-Pro
ME376051
-
-
12.86965304
-
D,L-α-methylphosphinothricin
-
ME376084
-
-
12.92357915
-
N-Acetylornithine
N-Acetylornithine
ME376058
-
C00437
12.9972318
-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
-
ME376081
-
-
13.0167249
-
3,5-dihydro-5-methylidene-4H-imidazol-4-one
-
ME376085
-
-
13.06633135
-
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME376242
-
C00021
13.12179993
-
N-Carboxyethyl-g-aminobutyricacid
N-Carboxyethyl-gamma-aminobutyric acid
ME376061
-
-
13.1817265
-
Glu-Lys-Asp-Pro
-
ME376262
-
-
13.18549169
-
N-Acetyllactosamine
N-Acetyllactosamine
ME376241
-
C00611
13.1858874
-
Fagomine
Fagomine
ME376018
-
C10144
13.21381797
-
N,N-Dimethylglycine
Dimethylglycine
ME375958
-
C01026
13.24196543
-
Ophthalmicacid
Ophthalmic acid
ME376188
-
-
13.27293345
-
N-Acetylmuramate
N-Acetylmuramic acid
ME376193
-
C02713
13.33049028
-
5-guanidino-3-methyl-2-oxo-pentanoate
-
ME376072
-
-
13.33282793
-
CoA
Coenzyme A
ME376282
-
C00010
13.33999557
-
Glu-Arg-Pro
Glu-Arg-Pro
ME376244
-
-
13.34000422
-
Diacetylhydrazine
-
ME375966
-
C16622
13.36529103
-
4-Imidazolone-5-acetate
-
ME376003
-
C05133
13.39184163
-
4-Methylumbelliferone glucuronide
4-Methylumbelliferyl glucuronide
ME376233
-
C11584
13.48291245
-
AMP
AMP
ME376230
-
C00020
13.4946874
-
N2-(D-1-Carboxyethyl)-L-arginine
D-Octopine
ME376145
-
C04137
13.54087561
-
Ala-Lys-Asp-Pro
-
ME376248
-
-
13.59222921
-
Isonicotineamide
-
ME375976
-
C02421
13.65637043
-
NAD+
NAD
ME376275
-
C00003
13.6620875
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME376046
-
C13482
13.6774999
-
ZAPA
ZAPA
ME376014
-
C13695
13.68957358
-
2,3-Dimethylmaleate
Dimethyl maleate
ME376006
-
C00922
13.75852924
-
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME376153
-
C00670
13.86063858
-
CMP-N-trimethyl-2-aminoethylphosphonate
CMP-2-trimethylaminoethylphosphonate
ME376258
-
C05674
13.94011688
-
Thiamin diphosphate
Thiamine diphosphate
ME376246
-
C00068
14.02086283
-
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME376054
-
C03771
14.08184857
-
Ala-Ala-Ala-Asp
-
ME376227
-
-
14.10759999
-
5-Aminolevulinate
5-Amino-levulinic acid
ME375987
-
C00430
14.1195602
-
Methylitaconate
-
ME376007
-
C02295
14.16527371
-
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME376146
-
C00669
14.16703339
-
(S)-ATPA
(S)-ATPA
ME376127
-
C13733
14.18204592
-
3-Butynoate
3-Butynoic acid
ME375951
-
C06144
14.18248486
-
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME376113
-
C03738
14.18928472
-
Glutathione
Glutathione
ME376204
-
C00051
14.23966675
-
1,6-diaminohexane
-
ME375967
-
-
14.24974475
-
5,6-Dihydrothymine
Dihydrothymine
ME375982
-
C00906
14.29571549
-
L-Threonine
Threonine
ME375973
-
C00188
14.37619112
-
Choline phosphate
Choline phosphate
ME376069
-
C00588
14.47218205
-
1-Caffeoyl-4-deoxyquinic acid
-
ME376224
-
C10432
14.53000412
-
L-Alanine
Alanine
ME375954
-
C00041
14.55349356
-
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME376012
-
C01035
14.67081033
-
L-Glutamine
Glutamine
ME376015
-
C00064
14.86730386
-
CDP-choline
CDP-choline
ME376264
-
C00307
14.95736262
-
Gamma-Glutamylglutamine
gamma-Glutamylglutamine
ME376175
-
C05283
14.98687282
-
Phosphocreatine
Phosphocreatine
ME376109
-
C02305
15.04143753
-
L-Asparagine
Asparagine
ME375990
-
C00152
15.23863956
-
2-acetamidoglucal
-
ME376099
-
-
15.3240908
-
Carnosine
Carnosine
ME376125
-
C00386
15.33256243
-
2-Aminoacrylate
2-Aminoacrylic acid
ME375952
-
C02218
15.39093899
-
Brunfelsamidine
Brunfelsamidine
ME375961
-
C10133
15.39764882
-
Cys-Cys-Gly
Cys-Cys-Gly
ME376182
-
-
15.40115696
-
Aspartyl-L-proline
Asp-Pro
ME376131
-
-
15.45959574
-
a Cysteine adduct
-
ME376080
-
-
15.48257585
-
3-(Pyrazol-1-yl)-L-alanine
3-(Pyrazol-1-yl)-L-alanine
ME376027
-
C01162
15.50383708
-
Pyridine-2,3-dicarboxylate
Quinolinic acid
ME376042
-
C03722
15.54160304
-
Guanidinoacetate
Guanidoacetic acid
ME375968
-
C00581
15.60590413
-
N4-(Acetyl-beta-D-glucosaminyl)asparagine
Aspartylglycosamine
ME376222
-
C04540
15.61028341
-
L-Citrulline
Citrulline
ME376062
-
C00327
15.66611023
-
Ala-Asp-Gly
Ala-Asp-Gly
ME376159
-
-
15.73385158
-
L-Serine
Serine
ME375960
-
C00065
15.73906258
-
Asp-Met-Asp-Gly
-
ME376250
-
-
15.76172943
-
Asn-Leu-Asn-Tyr
-
ME376269
-
-
15.84652433
-
Orthophosphate
Phosphoric acid
ME375955
-
C00009
15.87438188
-
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME376135
-
C01133
15.95859604
-
L-Djenkolic acid
-
ME376148
-
C08275
16.0091621
-
CMP
CMP
ME376214
-
C00055
16.04520009
-
psicoselysine
Psicosyllysine
ME376207
-
-
16.1827165
-
L-Cystine
Cystine
ME376137
-
C00491
16.21078466
-
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...
-
ME376172
-
-
16.22612076
-
Ala-Asp-Cys
Ala-Asp-Cys
ME376205
-
-
16.42606008
-
D-Histidine
D-Histidine
ME376024
-
C06419
16.43792435
-
Asp-Thr-Cys-Cys
-
ME376251
-
-
16.45824153
-
Ala-Asn-Ser
Ala-Asn-Ser
ME376191
-
-
16.55043355
-
Neuraminic acid
Neuraminic acid
ME376167
-
C06469
16.62397919
-
Folate
Folic acid
ME376252
-
C00504
16.69569304
-
Glu-Glu
Glu-Glu
ME376177
-
C01425
16.76253337
-
Asp-Cys-Cys-Ser
S-Glutathionyl-cysteine
ME376247
-
-
16.86840007
-
Glu-Thr-Thr
Glu-Thr-Thr
ME376231
-
-
17.00620855
-
Ile-Lys-Ser
Ile-Lys-Ser
ME376229
-
-
17.15583344
-
Glutathione disulfide
Oxidized glutathione
ME376272
-
C00127
17.20304159
-
Asp-Gly-Arg
Asp-Gly-Arg
ME376228
-
-
17.41145833
-
Ala-Ala-Ala-Ser
-
ME376212
-
-
17.46349996
-
Gammaglutamylornithine
gamma-Glutamylornithine
ME376161
-
-
17.71100006
-
Asp-Arg
Asp-Arg
ME376189
-
-
17.81383311
-
Glu-Arg
Glu-Arg
ME376202
-
-
17.84445449
-
GDP
GDP
ME376253
-
C00035
17.88020833
-
N3-hydroxyethylcytosine
-
ME376025
-
-
18.01617948
-
CTP
CTP
ME376261
-
C00063
18.70854187
-
Convicine
Convicine
ME376203
-
C08430
18.73279165
-
L-Histidine
Histidine
ME376026
-
C00135
19.73123044
-
Ile-Lys
Ile-Lys
ME376157
-
-
20.07766673
-
5-Methyltetrahydropteroylpentaglutamate
-
ME376263
-
-
20.08170878
-
Cys-Lys-Cys-His
-
ME376265
-
-
20.1106252
-
Ile-Lys-Pro
Ile-Lys-Pro
ME376235
-
-
20.51987508
-
Thiamin
Thiamine
ME376163
-
C00378
20.58524984
-
Ne,Ne dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME376060
-
C05545
21.06270837
-
NG,NG-Dimethyl-L-arginine
Dimethylarginine
ME376097
-
C03626
21.15387522
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME376077
-
C03793
21.23961114
-
Lys-Val
Lys-Val
ME376144
-
-
21.47056936
-
L-Ornithine
Ornithine
ME375993
-
C00077
21.95385899
-
N6-Methyl-L-lysine
N(6)-Methyllysine
ME376033
-
C02728
21.98497213
-
L-Lysine
Lysine
ME376016
-
C00047
22.57555135
-
Ala-Gly-Tyr-His
-
ME376254
-
-
23.98451385
-
L-Arginine
Arginine
ME376059
-
C00062
23.99679472
-
Cys-Lys-Phe-Trp
-
ME376271
-
-
23.99820828
-
Betaine aldehyde
Betaine aldehyde
ME375957
-
C00576
27.67108968
-
Trimethylaminoacetone
Trimethylaminoacetone
ME375965
-
-
27.90975639
-
Asp-Pro-Ser-His
-
ME376255
-
-
28.40234714
-
Anthenoside A
-
ME376277
-
-
3.469500026
-
DG(P-32:1)
DG P-32:1
ME376270
-
C13864
3.484587479
-
N-(2-hydroxynonadecanoyl)-phytosphingosine
-
ME376273
-
-
3.536716679
-
Bis(2-ethylhexyl)phthalate
Bis(2-ethylhexyl)phthalate
ME376243
-
C03690
3.600937203
-
LacCer(d18:0/14:0)
LacCer 18:0;O2/14:0
ME376289
-
-
3.625477791
-
Diisononyl phthalate
Diisononyl phthalate
ME376245
-
C15221
3.628003869
-
2-trans,4-cis-Decadienoylcarnitine
-
ME376211
-
-
3.630006714
-
PC(36:2)
PC 36:2
ME376284
-
-
3.634604179
-
PC(34:2)
PC 34:2
ME376280
-
-
3.64348473
-
Methyl acetyl ricinoleate
-
ME376234
-
C12280
3.658644485
-
PC(34:1)
PC 34:1
ME376281
-
-
3.658890279
-
[FA hydroxy(18:2)] 13S-hydroxy-9Z,11E-octadecadien...
13S-HODE
ME376195
-
C14762
3.666581938
-
MG(0:0/20:2(11Z,14Z)/0:0)
MG 0:0/20:2(11Z,14Z)/0:0*
ME376240
-
-
3.683956655
-
FA oxo(21:0)
-
ME376225
-
-
3.699466649
-
SM(d18:1/24:1(15Z))
SM 18:1;O2/24:1(15Z)
ME376287
-
C00550
3.711119461
-
PC(P-34:0)
PC P-34:0
ME376279
-
-
3.727283325
-
alpha-Sinensal
Sinensal
ME376114
-
C09729
3.731548627
-
5-O-Methylembelin
5-O-Methylembelin
ME376208
-
C10373
3.735691728
-
[FA methoxy,hydroxy(18:2)] octadecadienoic acid
Octadecadienoic acid
ME376216
-
-
3.753933398
-
Tributyl phosphate
Tributyl phosphate
ME376166
-
C14439
3.754443594
-
[FA oxo(16:2)] cyclopentanehexanoic acid
-
ME376170
-
-
3.758848317
-
Botrydial
Botrydial
ME376209
-
C09622
3.765030009
-
Tetranor-PGE1
Tetranor-PGE1
ME376199
-
-
3.765120888
-
14-Dihydroxycornestin
Cornexistin
ME376206
-
C08483
3.76523749
-
MG(0:0/16:0/0:0)
MG 0:0/16:0/0:0
ME376219
-
-
3.786137195
-
SM(d40:1)
SM 40:1;O2
ME376285
-
C00550
3.789761119
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME376194
-
C04875
3.792293607
-
Precocene 2
Precocene II
ME376117
-
C09018
3.797232095
-
[FA methyl,hydroxy,oxo(5:2/4:0)] methyl 4-[2-(2-fo...
Butyric acid
ME376149
-
-
3.799345843
-
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one
Androsterone
ME376192
-
C00523
3.806874975
-
[SP] Pramanicin
Pramanicin
ME376237
-
-
3.806883367
-
3-Ketosphingosine
3-Ketosphingosine
ME376198
-
C06121
3.809919085
-
Militarinone A
Militarinone A
ME376256
-
C12333
3.813540734
-
Octadecanamide
Stearamide
ME376185
-
C13846
3.819397442
-
Dinor-PGE2
Dinor-PGE2
ME376215
-
-
3.822004191
-
[FA (18:1)] 9Z-octadecenamide
Oleamide
ME376183
-
-
3.846547464
-
homodihydrocapsaicin
-
ME376213
-
-
3.848454158
-
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydrox...
-
ME376187
-
-
3.856052594
-
Linoleamide
Linoleamide
ME376181
-
-
3.857314124
-
SM(d34:1)
SM 34:1;O2
ME376278
-
-
3.86190834
-
Herniarin
-
ME376063
-
C09268
3.876241048
-
Palmiticamide
Palmitamide
ME376150
-
-
3.878788483
-
SM(d32:1)
SM 32:1;O2
ME376276
-
-
3.882088894
-
15-Keto-prostaglandinE2
15-Keto-PGE2
ME376232
-
C04707
3.899160055
-
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
-
ME376107
-
C04561
3.899611113
-
SP (4:0)
-
ME376179
-
-
3.900147443
-
Mukaadial
Mukaadial
ME376165
-
C09702
3.918493716
-
[FA hydroxy(22:4/2:0)] eicosatetraenedioic acid
20-Carboxy-LTB4
ME376236
-
C05950
3.929463348
-
3-Oxo-delta4-steroid
Androst-4-en-3-one
ME376173
-
C00619
3.92982666
-
Dehydrojuvabione
Dehydrojuvabione
ME376164
-
C09657
3.947023089
-
3-Oxosteroid
-
ME376174
-
C01876
3.989212545
-
[FA] Methyl jasmonate
Methyl jasmonate
ME376124
-
C11512
4.008092362
-
Methyl cinnamate
Methyl cinnamate
ME376037
-
C06358
4.024156463
-
FA oxo(7:0)
-
ME376008
-
-
4.079987462
-
2-Hexenoylcarnitine
CAR 6:1
ME376154
-
-
4.080999959
-
N-Undecanoylglycine
N-Undecanoylglycine
ME376140
-
-
4.092616683
-
Dimethyl citraconate
-
ME376030
-
C05126
4.094729516
-
[SP] Sphing-4-enine
Sphingosine
ME376201
-
C00319
4.11018845
-
N-(3-oxooctanoyl)-L-homoserine
-
ME376155
-
-
4.129224947
-
7,8-diketopelargonate
-
ME376070
-
-
4.145751537
-
1-(3,4-dimethoxylphenyl)ethane-1,2-diol
-
ME376089
-
C16644
4.146772194
-
LysoPC(18:1)
LPC 18:1
ME376268
-
-
4.154880015
-
3-oxopimelic acid
-
ME376056
-
-
4.187354151
-
Iridodial
Iridodial
ME376045
-
C06069
4.2021179
-
[PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...
LPC P-16:0 or LPC O-16:1
ME376259
-
C04230
4.204316661
-
Hexanoylcarnitine
CAR 6:0
ME376156
-
-
4.222304217
-
4-Propylphenol
4-Propylphenol
ME375998
-
C14311
4.233936356
-
LysoPC(16:0)
LPC 16:0
ME376267
-
C04230
4.246083359
-
LysoPC(16:1(9Z))
LPC 16:1(9Z)
ME376266
-
C04230
4.2763001
-
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...
LPC O-16:0
ME376260
-
C13903
4.303550084
-
Undecanoylcholine
Undecanoylcholine
ME376171
-
-
4.3174102
-
[SP (14:0)] 1-deoxy-tetradecasphinganine
Xestoaminol C
ME376130
-
-
4.346155118
-
acidomycin
-
ME376111
-
-
4.373725065
-
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosph...
LPC 14:0
ME376257
-
C04230
4.410266724
-
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME376094
-
C04067
4.459416707
-
FA (12:1) Decenedioic acid
Decenedioic acid
ME376091
-
-
4.482512782
-
Millettone
Millettone
ME376239
-
C10506
4.506174978
-
6-Keto-decanoylcarnitine
CAR 10:0;6oxo
ME376218
-
-
4.537558238
-
5-Hydroxyconiferaldehyde
5-Hydroxyconiferaldehyde
ME376083
-
C12204
4.562858934
-
Melochinone
Melochinone
ME376220
-
C10727
4.580291621
-
1,3,5-trimethoxybenzene
1,3,5-Trimethoxybenzene
ME376044
-
D01792
4.611269163
-
Heterodendrin
Heterodendrin
ME376160
-
C08332
4.611329956
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME376105
-
C03519
4.627286106
-
Capryloylglycine
Capryloylglycine
ME376092
-
-
4.62729577
-
N-Heptanoylglycine
N-Heptanoylglycine
ME376073
-
-
4.635452544
-
N-Methyl-2-pyrrolidinone
2-Pyrrolidinone
ME375956
-
C11118
4.690666629
-
indigo
-
ME376162
-
-
5.10658332
-
Nicotine
Nicotine
ME376038
-
C00745
5.349255097
-
Elaeokanine C
Elaeokanine C
ME376110
-
C10592
7.135169038
-
2-chlorohexadecanol
2-Chlorohexadecanol
ME376178
-
-
7.209076984
-
5'-methylthioformycin
-
ME376196
-
-
7.259525831
-
Picolinamide
Picolinamide
ME375977
-
C01950
7.264707712
-
ε-aminocaproamide
N-Acetylputrescine
ME375985
-
-
7.280187167
-
beta-D-Digitalopyranose
Digitalose
ME376066
-
C08235
7.347933324
-
allylcysteine
S-Allylcysteine
ME376034
-
C16759
7.359858322
-
N4-Acetylaminobutanal
N4-Acetylaminobutanal
ME375983
-
C05936
7.365710214
-
3-Aminobenzenesulfonate
-
ME376052
-
C06334
7.367491659
-
butyrylcholine
Butyrylcholine
ME376055
-
-
7.373903684
-
Ile-Ala
Ile-Ala
ME376095
-
-
7.37511673
-
Daminozide
Daminozide
ME376032
-
C10996
7.386587524
-
(-)-erythro-(2R,3R)-dihydroxybutylamide
-
ME375972
-
C11108
7.386587524
-
Nalpha-Methylhistidine
N-Methylhistidine
ME376048
-
C03298
7.39809583
-
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME376143
-
-
7.423506885
-
MOPS
-
ME376108
-
-
7.441543274
-
4-Nitroaniline
4-Nitroaniline
ME375999
-
C02126
7.49612951
-
3,4-Dehydrothiomorpholine-3-carboxylate
-
ME376009
-
C04445
7.502680545
-
Pyridoxine
Pyridoxine
ME376047
-
C00314
7.718705495
-
Nicotinate
Nicotinic acid
ME375978
-
C00253
7.722097504
-
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine
N-Acetyl-S- (2-hydroxyethyl)-cysteine
ME376104
-
C14876
7.768799973
-
Pyridoxal
Pyridoxal
ME376043
-
C00250
7.856312835
-
2 -(Butylamido)-4-hydroxybutanoic acid
-
ME376078
-
C11843
7.906675642
-
2-hydroxypurine
-
ME375996
-
-
7.908754179
-
Caproylcholine
Caproylcholine
ME376093
-
-
7.919585012
-
Indolelactate
Indolelactic acid
ME376102
-
C02043
7.958904097
-
Riboflavin
Riboflavin
ME376238
-
C00255
8.033793004
-
CHAPS
CHAPS
ME376274
-
C11321
8.090880761
-
N2-N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME376210
-
-
8.147306084
-
O-Butanoylcarnitine
CAR 4:0
ME376133
-
C02862
8.150398685
-
8-Oxocoformycin
-
ME376184
-
C02243
8.185875066
-
Alliin
Alliin
ME376064
-
C08265
8.188908386
-
1-Methylhypoxanthine
1-Methylhypoxanthine
ME376021
-
-
8.197736062
-
N,N-dihydroxyisoleucine
-
ME376039
-
-
8.242711046
-
Glycyl-leucine
Gly-Leu
ME376076
-
C02155
8.292095148
-
6-(Allylthio)purine
-
ME376082
-
C15348
8.341204198
-
Pantothenate
Pantothenic acid
ME376115
-
C00864
8.457491684
-
Biotin
Biotin
ME376141
-
C00120
8.551991611
-
Phenylethylmalonamide
Phenylethylmalonamide
ME376103
-
C07499
8.558091672
-
Adenosine
Adenosine
ME376168
-
C00212
8.562933396
-
N-Acetyl-L-histidine
N-Acetylhistidine
ME376087
-
C02997
8.600999959
-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME376151
-
C15497
8.637779151
-
Asn-Val-Asn-Ser
-
ME376249
-
-
8.728186849
-
CAPS
-
ME376119
-
-
8.735776852
-
L-Glutamate 5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME375986
-
C01165
8.747969329
-
5-Methylcytidine
5-Methylcytidine
ME376152
-
-
8.768968062
-
Urethane
Ethyl carbamate
ME375953
-
C01537
8.804569414
-
gamma-Glutamyl-beta-aminopropiononitrile
gamma-Glutamyl-beta-aminopropiononitrile
ME376090
-
C06114
8.837547133
-
6-Amino-2-oxohexanoate
2-Keto-6-aminocaproate
ME376010
-
C03239
8.862105071
-
D,L-5-fluorotryptophan
-
ME376120
-
-
8.885301378
-
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME376053
-
C01250
9.04650205
-
(3S,5S)-carbapenam
-
ME376023
-
-
9.047401474
-
Guanine
Guanine
ME376022
-
C00242
9.09805751
-
Adenine
Adenine
ME375994
-
C00147
9.10737915
-
Slaframine
Slaframine
ME376138
-
C06185
9.260574419
-
Vinylacetylglycine
Vinylacetylglycine
ME376004
-
-
9.276262958
-
3',5'-Cyclic AMP
3',5' cyclic AMP
ME376217
-
C00575
9.352045695
-
L-isoleucyl-L-proline
Ile-Pro
ME376128
-
-
9.353648546
-
3-Methylguanine
3-Methylguanine
ME376040
-
C02230
9.353727637
-
Creatinine
Creatinine
ME375963
-
C00791
9.357738749
-
Psicofuranin
Angustmycin C
ME376197
-
C05342
9.376211918
-
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME376001
-
C05828
9.381462521
-
Ethylphosphate
Ethylphosphate
ME375979
-
-
9.466720835
-
Homostachydrine
(S)-Homostachydrine
ME376029
-
C08283
9.468808844
-
histidine methyl ester
-
ME376050
-
-
9.488466616
-
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME375962
-
C03912
9.510069236
-
3-nitro-2-butanol
-
ME375974
-
-
9.521073986
-
L-Formylkynurenine
N-Formyl-L-kynurenine
ME376134
-
C02700
9.593412087
-
Ile-Asn
Ile-Asn
ME376142
-
-
9.613069661
-
Aldicarb
Aldicarb
ME376079
-
C11015
9.616808192
-
Glutarylcarnitine
CAR DC5:0
ME376176
-
-
9.672399902
-
N,N-dihydroxyvaline
-
ME376020
-
-
9.693136258
-
AMCC
N-Acetyl-S-(n-methylcarbamoyl)cysteine
ME376116
-
C11490
9.710520935
-
L-Phenylalanine
Phenylalanine
ME376041
-
C00079
9.746461526
-
Indole
Indole
ME375969
-
C00463
9.78892356
-
Deoxycytidine
Deoxycytidine
ME376126
-
C00881
9.852950033
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
5-Oxoproline
Pyroglutamic acid
ME376322
-
C01879
10.22510752
-
4-methylthiobutanaldoxime
4-Methylthiobutanaldoxime
ME376336
-
C17241
10.24463649
-
Dihydropteridine
Dihydropteridine
ME376338
-
C05649
10.27595307
-
gamma-Glutamyl-beta-aminopropiononitrile
gamma-Glutamyl-beta-aminopropiononitrile
ME376457
-
C06114
10.62340678
-
L-gamma-glutamyl-L-isoleucine
gamma-Glutamylisoleucine
ME376518
-
-
10.63719103
-
O-Acetyl-L-serine
O-Acetylserine
ME376350
-
C00979
10.71397213
-
dihydrocamalexate
-
ME376504
-
-
10.78193766
-
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME376312
-
C00441
10.82254161
-
Ile-Ala-Ser
Ile-Ala-Ser
ME376534
-
-
10.86822823
-
2-Octenedioicacid
2-Octenedioic acid
ME376398
-
-
10.908205
-
Azelaic acid
Azelaic acid
ME376437
-
C08261
10.93307315
-
3-Dehydroquinate
3-Dehydroquinate
ME376441
-
C00944
11.08490414
-
Xanthine
Xanthine
ME376360
-
C00385
11.3785347
-
Imidazol-5-yl-pyruvate
-
ME376365
-
C03277
11.73879801
-
Pseudouridine
Pseudouridine
ME376502
-
C02067
11.7413876
-
S-(Formylmethyl)glutathione
S-(Formylmethyl)glutathione
ME376568
-
C14871
12.05510839
-
D-Ribose
Ribose
ME376356
-
C00121
12.13273748
-
3-(Pyrazol-1-yl)-L-alanine
3-(Pyrazol-1-yl)-L-alanine
ME376366
-
C01162
12.16815149
-
His-Met-Phe-Phe
-
ME376620
-
-
12.19062616
-
2,5-Dioxopentanoate
-
ME376323
-
C00433
12.22124502
-
Asp-Thr-Cys-Tyr
-
ME376608
-
-
12.27384412
-
Arg-Asp-Cys-Ser
-
ME376602
-
-
12.34731519
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME376463
-
C12986
12.39552511
-
(R)-S-Lactoylglutathione
S-Lactoylglutathione
ME376581
-
C03451
12.54561666
-
2',3'-Cyclic CMP
2',3' cyclic CMP
ME376551
-
C02354
12.57325007
-
Terephthalate
Terephthalic acid
ME376383
-
C06337
12.61099869
-
Met-Val-His
Met-Val-His
ME376583
-
-
12.61162109
-
GDP-3,6-dideoxy-D-galactose
GDP-3,6-dideoxy-D-galactose
ME376617
-
C05136
12.65180003
-
Orotidine
Orotidine
ME376533
-
-
12.72217077
-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...
Threonic acid
ME376339
-
C01620
12.72522567
-
Xylitol
Xylitol
ME376362
-
C00379
12.73397361
-
L-beta-aspartyl-L-leucine
-
ME376507
-
-
12.77433329
-
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME376560
-
C04544
12.84990438
-
D-Erythrose 4-phosphate
Erythrose 4-phosphate
ME376458
-
C00279
12.86545817
-
Urate
Uric acid
ME376391
-
C00366
12.87834998
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME376505
-
C03274
12.89675334
-
L-Lyxonate
-
ME376386
-
C05412
13.03638204
-
Glu-Met-Ser
Glu-Met-Ser
ME376576
-
-
13.08317108
-
NADH
NADH
ME376625
-
C00004
13.21366247
-
L-Methionine S-oxide
Methionine sulfoxide
ME376381
-
C02989
13.22425969
-
Quinate
Quinic acid
ME376447
-
C00296
13.239986
-
1-O-Methyl-myo-inositol
-
ME376452
-
C03659
13.29954881
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME376554
-
C00270
13.31356252
-
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME376536
-
C04521
13.3336733
-
2-Hydroxy-2,4-pentadienoate
2-Hydroxypenta-2,4-dienoic acid
ME376307
-
C00596
13.35481286
-
D-Mannose
Mannose
ME376424
-
C00159
13.37581928
-
Acetoacetate
Acetoacetic acid
ME376296
-
C00164
13.45212676
-
Glutarate
Glutaric acid
ME376329
-
C00489
13.45459736
-
L-Fucose 1-phosphate
Fucose 1-phosphate
ME376501
-
C02985
13.45540848
-
D-Xylonate
Xylonic acid
ME376387
-
C00502
13.49225127
-
D-Sorbitol
Sorbitol
ME376428
-
C00794
13.63104232
-
γ-thiomethyl glutamate
-
ME376450
-
-
13.76979574
-
S-(3-oxo-3-carboxy-n-propyl)cysteine
S-(3-Oxo-3-carboxy-n-propyl)cysteine
ME376481
-
-
13.90154165
-
dehypoxanthine futalosine
Dehypoxanthine futalosine
ME376541
-
C17010
13.90923335
-
N5-acetyl-N5-hydroxy-L-ornithine
2,6-Diaminopimelic acid
ME376444
-
-
13.91300023
-
N-Acetyl-D-mannosaminolactone
N-Acetylmannosaminolactone
ME376479
-
C03776
13.96126017
-
dADP
dADP
ME376590
-
C00206
13.96726659
-
L-Xylonate
-
ME376388
-
C05411
14.0059654
-
D-Gluconic acid
Gluconic acid
ME376455
-
C00257
14.0515384
-
Monomethyl sulfate
Methyl sulfate
ME376302
-
C02704
14.10591253
-
(S)(+)-Allantoin
Allantoin
ME376370
-
C02350
14.11899719
-
L-Histidinol phosphate
L-Histidinol phosphate
ME376482
-
C01100
14.14850981
-
Orthophosphate
Phosphoric acid
ME376294
-
C00009
14.15295261
-
N-Acetyl-L-glutamate
N-Acetylglutamic acid
ME376439
-
C00624
14.1576183
-
2-C-Methyl-D-erythritol 4-phosphate
-
ME376475
-
C11434
14.19043605
-
2,3,4,5-Tetrahydrodipicolinate
-
ME376396
-
C03972
14.27040405
-
Creatine
Creatine
ME376328
-
C00300
14.27068609
-
4-Amino-2-methyl-5-phosphomethylpyrimidine
4-Amino-2-methyl-5-phosphomethylpyrimidine
ME376478
-
C04556
14.33914871
-
Phthalate
Phthalic acid
ME376382
-
C01606
14.41793471
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME376392
-
C13482
14.45566345
-
D-Erythrose
Erythrose
ME376316
-
C01796
14.47613095
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME376319
-
C03167
14.48801676
-
Met-Ala-Pro
Met-Ala-Pro
ME376557
-
-
14.50284758
-
Ascorbate
Vitamin C
ME376418
-
C00072
14.53753738
-
L-Arabinose
Lyxose
ME376357
-
C00259
14.57143594
-
Lys-Asn
Lys-Asn
ME376519
-
-
14.57185847
-
L-Glutamate 5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME376327
-
C01165
14.58126255
-
L-Glutamate
Glutamic acid
ME376351
-
C00025
14.61617056
-
2-Oxobutanoate
3-Methyl pyruvic acid
ME376297
-
C00109
14.6384167
-
Asp-Phe-Gly-Gly
-
ME376585
-
-
14.64183815
-
Ile-Cys-His
Ile-Cys-His
ME376580
-
-
14.69739031
-
PIPES
-
ME376547
-
-
14.70351273
-
D-Galactose
Galactose
ME376426
-
C00124
14.71246275
-
N-Acetyl-L-aspartate
N-Acetylaspartic acid
ME376416
-
C01042
14.73374168
-
propiin
-
ME376423
-
-
14.76232992
-
2-Acetolactate
2-Acetolactate
ME376330
-
C00900
14.77308584
-
Miraxanthin-I
Miraxanthin-I
ME376575
-
C08554
14.79781375
-
Ala-Ala-Asn-Gly
-
ME376563
-
-
14.80175956
-
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME376397
-
C00093
14.80826408
-
ADP
ADP
ME376592
-
C00008
14.88849564
-
L-Aspartate
Aspartic acid
ME376334
-
C00049
14.95557947
-
CMP-2-aminoethylphosphonate
CMPciliatine
ME376594
-
C05673
14.96497091
-
2(alpha-D-Mannosyl)-D-glycerate
2-(alpha-D-mannosyl)-D-glyceric acid
ME376521
-
C11544
14.99954529
-
(S)-ACPA
-
ME376472
-
C13673
15.0413709
-
UDP-N-acetyl-D-galactosamine
UDP-N-acetylgalactosamine
ME376623
-
C00203
15.05667063
-
Ala-Asn-Asn
Ala-Asn-Asn
ME376556
-
-
15.08722389
-
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME376624
-
C00128
15.1065417
-
cis-(homo)3aconitate
-
ME376476
-
-
15.10753813
-
Cinnavalininate
Cinnavalininate
ME376544
-
C05640
15.21415838
-
Taurine
Taurine
ME376320
-
C00245
15.23853633
-
glycerophosphoserine
sn-Glycero-3-phosphoserine
ME376516
-
-
15.24519348
-
Succinate
Succinic acid
ME376314
-
C00042
15.29570516
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME376474
-
C01233
15.30237223
-
D-Xylonolactone
D-Xylono-1,5-lactone
ME376353
-
C02266
15.37737568
-
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME376305
-
C03912
15.44322501
-
4-Hydroxyphenylglyoxylate
-
ME376384
-
C03590
15.46375138
-
L-beta-aspartyl-L-threonine
-
ME376493
-
-
15.50732131
-
Ethanolamine phosphate
Phosphoethanolamine
ME376341
-
C00346
15.5234547
-
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME376512
-
C05844
15.56643728
-
L-beta-aspartyl-L-alanine
beta-Aspartylalanine
ME376465
-
-
15.60488668
-
D-Ribose 5-phosphate
Ribose 5-phosphate
ME376491
-
C00117
15.67698873
-
dATP
dATP
ME376606
-
C00131
15.75355428
-
Asp-Cys-Cys-Gln
-
ME376601
-
-
15.76162516
-
Glu-Lys-Lys-Phe
-
ME376613
-
-
15.88705834
-
2-Oxoglutarate
2-Oxoglutaric acid
ME376347
-
C00026
15.93410652
-
Hydroxypyruvate
Hydroxypyruvic acid
ME376299
-
C00168
15.97437572
-
sn-glycero-3-Phospho-1-inositol
sn-Glycero-3-phosphoinositol
ME376564
-
C01225
15.9898136
-
CDP-ethanolamine
CDP-Ethanolamine
ME376597
-
C00570
16.06874593
-
dTTP
dTTP
ME376604
-
C00459
16.12382507
-
D-Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME376394
-
C00118
16.15882716
-
Aminoimidazole ribotide
AIR
ME376540
-
C03373
16.19860408
-
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate
ME376535
-
C05382
16.21442083
-
D-Glucose 6-phosphate
Glucose 6-phosphate
ME376517
-
C00092
16.27123455
-
L-Cysteine
Cysteine
ME376317
-
C00097
16.2740515
-
(S)-Malate
Malic acid
ME376337
-
C00149
16.28078347
-
ATP
ATP
ME376610
-
C00002
16.39915009
-
GDP-4-dehydro-3,6-dideoxymannose
-
ME376616
-
-
16.44190002
-
UDP-glucose
UDP-glucose
ME376614
-
C00029
16.44252497
-
UDP
UDP
ME376588
-
C00015
16.55272903
-
NADP+
NADP
ME376627
-
C00006
16.55296656
-
octulose 8-phosphate
Octulose 8-phosphate
ME376558
-
-
16.60832901
-
isophthalate
-
ME376385
-
-
16.6402717
-
N-Carbamyl-L-glutamate
Carglumic acid
ME376442
-
C05829
16.78596242
-
3-sulfopropanoate
-
ME376364
-
-
16.92629488
-
Gln-Leu-Lys-Tyr
-
ME376612
-
-
16.94140912
-
Iminodiacetate
Iminodiacetate
ME376335
-
-
16.96726911
-
N-Carbamoyl-L-aspartate
Carbamoylaspartate
ME376419
-
C00438
17.0108667
-
N-Acetyl-aspartyl-glutamate
N-Acetyl-Asp-Glu
ME376549
-
C12270
17.01187892
-
2,5,6-Trihydroxy-5,6-dihydroquinoline
-
ME376422
-
C06339
17.02018068
-
D-Glucose
Glucose
ME376425
-
C00221
17.0328078
-
CDP
CDP
ME376587
-
C00112
17.03791656
-
L-Histidine
Histidine
ME376367
-
C00135
17.08692322
-
3-Phospho-D-glycerate
3-Phosphoglyceric acid
ME376431
-
C00197
17.10896647
-
D-Glucarate
Glucaric acid
ME376467
-
C00818
17.27953328
-
NADPH
NADPH
ME376628
-
C00005
17.31291656
-
S-Sulfo-L-cysteine
Cysteine-S-sulfate
ME376460
-
C05824
17.48897213
-
GDP-L-fucose
GDP-L-fucose
ME376621
-
C00325
17.67837575
-
2-sinapoyloxy-3-butenylglucosinolate
-
ME376622
-
-
17.68637543
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME376390
-
C00074
17.8725
-
(S,S)-Tartaric acid
-
ME376355
-
C02107
18.07639739
-
UTP
UTP
ME376605
-
C00075
18.07825012
-
(S)-2-O-Sulfolactate
-
ME376393
-
C02914
18.23173093
-
cis-Aconitate
cis-Aconitic acid
ME376409
-
C00417
18.29860245
-
Oxalate
Oxalic acid
ME376292
-
C00209
18.31260235
-
Sulfoacetate
Sulfoacetic acid
ME376340
-
C14179
18.60464071
-
1-thio-β-D-glucose
-
ME376454
-
-
18.70484588
-
Citrate
Citric acid
ME376446
-
C00158
18.74041012
-
UDP-glucuronate
UDP-glucuronic acid
ME376619
-
C00167
19.48258362
-
glutathione-sulfite
-
ME376584
-
-
19.59659993
-
beta-Citryl-L-glutamic acid
Beta-Citryl-glutamic acid
ME376559
-
-
20.28271188
-
Trimetaphosphate
-
ME376498
-
C02466
21.737423
-
H2S2O3
-
ME376306
-
C05529
21.76643567
-
Arg-Thr-Gln-Tyr
-
ME376615
-
-
21.78579203
-
Arg-Lys-Thr-Asp
-
ME376611
-
-
29.31478209
-
Dillapiole
Dillapiol
ME376483
-
C10449
3.389955139
-
PA(22:1(11Z)/0:0)
PA 22:1(11Z)/0:0
ME376607
-
-
3.422496694
-
PS(34:1)
PS 34:1
ME376629
-
-
3.427520752
-
Tetracosanoic acid
Lignoceric acid
ME376579
-
C08320
3.442318069
-
PS(36:1)
PS 36:1
ME376630
-
-
3.459353333
-
PG(32:1)
PG 32:1
ME376626
-
-
3.46518336
-
sodium dodecyl sulfate
Blasticidin S
ME376520
-
-
3.489933346
-
Docosanoic acid
Behenic acid
ME376567
-
C08281
3.497500004
-
FA (20:0)
Arachidic acid
ME376555
-
C06425
3.529202603
-
9S,15S-dihydroxy-11-oxo-15-methyl-5Z,13E-prostadie...
15-Methyl-15S-PGD2
ME376577
-
-
3.541883341
-
Octadecanoic acid
Stearic acid
ME376532
-
C01530
3.562593587
-
FA methyl(18:2)
-
ME376553
-
-
3.563537187
-
[FA (18:1)] 9Z-octadecenoic acid
Oleic acid
ME376531
-
C00712
3.569617951
-
FA (17:0)
Margaric acid
ME376524
-
-
3.570652556
-
FA methyl(18:0)
-
ME376543
-
-
3.579330816
-
Hexadecanoic acid
Palmitic acid
ME376514
-
C00249
3.590912824
-
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid
alpha-Linolenic acid
ME376529
-
C06427
3.591000034
-
FA(16:1)
Hexadecenoic acid
ME376513
-
C08362
3.591829486
-
FA oxo(18:0)
-
ME376542
-
-
3.598942312
-
FA methyl(14:0)
-
ME376500
-
C16665
3.617050014
-
2-Ethylhexyl phthalate
Monoethylhexyl phthalic acid
ME376527
-
C03343
3.617762835
-
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl...
-
ME376586
-
-
3.621137492
-
FA methyl(16:1)
-
ME376522
-
-
3.626114087
-
Phytuberin
Phytuberin
ME376539
-
C09709
3.63312824
-
Tetradecanoic acid
Myristic acid
ME376490
-
C06424
3.635735908
-
FA hydroxy(18:0)
-
ME376546
-
-
3.635760263
-
FA oxo(9:0) oxo-nonanoic acid
Oxononanoic acid
ME376400
-
-
3.651302572
-
FA oxo(16:0)
-
ME376523
-
-
3.653423114
-
[6]-Paradol
1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
ME376528
-
C10482
3.657108339
-
FA methyl(12:0) dodecanoic acid
Lauric acid
ME376473
-
-
3.68814486
-
Dodecanoic acid
Lauric acid
ME376459
-
C02679
3.699361517
-
FA hydroxy(16:0)] hexadecanoic acid
-
ME376525
-
-
3.703387177
-
[PR] Tretinoin/All-Trans Retinoic Acid
Retinoic acid
ME376545
-
C00777
3.70661668
-
Inulicin
-
ME376552
-
C09483
3.723720805
-
FA (13:2) tridecadienoic acid
Tridecadienoic acid
ME376470
-
-
3.734916687
-
Oxidized Latia luciferin
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME376453
-
C03527
3.73867499
-
11-dehydro-2,3-dinor-TXB2
11-Dehydro-2,3-dinor-TXB2
ME376566
-
-
3.738783391
-
12-OPDA
12-OPDA
ME376538
-
C01226
3.742291025
-
FA (16:3)
Hexadecatrienoic acid
ME376509
-
-
3.742554156
-
FA (20:4)
Arachidonic acid
ME376550
-
C00219
3.742683326
-
Nigakihemiacetal A
Nigakihemiacetal A
ME376589
-
C08772
3.750112534
-
Xanthoxin
-
ME376508
-
C13453
3.753159276
-
[FA (11:0)] undecanoic acid
Undecylic acid
ME376434
-
-
3.782084636
-
Trichodermin
Trichodermin
ME376537
-
C09741
3.784195836
-
9S,15S-dihydroxy-11R,18-diacetoxy-5Z,13E-prostadie...
18-Acetoxy-PGF2alpha-11-acetate
ME376600
-
-
3.784212494
-
[PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta...
-
ME376596
-
-
3.784216626
-
Latia luciferin
Latia luciferin
ME376496
-
C02293
3.78714074
-
FA oxo(12:1)
Traumatin
ME376471
-
C16309
3.788417953
-
Retinyl ester
Retinyl ester
ME376548
-
C02075
3.790968348
-
[FA trihydroxy(2:0)] 9S,11R,15S-trihydroxy-2,3-din...
2,3-Dinor-8-iso-PGF2alpha
ME376561
-
C14794
3.802655496
-
Magnoshinin
Magnoshinin
ME376591
-
C10658
3.82306852
-
Bakkenolide A
Bakkenolide A
ME376494
-
C09350
3.837911557
-
Decanoic acid
Capric acid
ME376403
-
C01571
3.839439725
-
[FA trihydroxy(20:4)] 5S,12R,20-trihydroxy-6Z,8E,1...
20-Hydroxy LTB4
ME376571
-
C04853
3.863612493
-
4-Heptyloxyphenol
4-Heptyloxyphenol
ME376466
-
C14236
3.868045262
-
Prostaglandin G2
PGG2
ME376578
-
C05956
3.871179199
-
stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside
-
ME376618
-
-
3.906325629
-
ubiquinol-1
-
ME376510
-
-
3.909058317
-
FA methyl(8:0)
-
ME376374
-
-
3.916244879
-
FA oxo(14:1) cyclopentanebutanoic acid
-
ME376497
-
-
3.916579183
-
3-Isopropylcatechol
3-Isopropylcatechol
ME376363
-
C01014
4.031033325
-
FA (8:0) octanoic acid
Caprylic acid
ME376345
-
C06423
4.084111551
-
FA hydroxy(9:0) hydroxy-nonanoic acid
-
ME376415
-
-
4.095261559
-
Carnosol
Carnosol
ME376562
-
C09069
4.122220866
-
Dehydrovomifoliol
Dehydrovomifoliol
ME376485
-
C02533
4.145145861
-
LysoPE(20:4)
LPE 20:4
ME376609
-
-
4.15663751
-
[PR] Iridotrial
Iridotrial
ME376429
-
C06070
4.172499949
-
10-oxogeranial
-
ME376389
-
C17622
4.178586629
-
Thymyl acetate
Thymol acetate
ME376449
-
C09909
4.206737455
-
Glycochenodeoxycholate
Glycochenodeoxycholic acid
ME376598
-
C05466
4.207715268
-
LysoPE(18:1)
LPE 18:1
ME376603
-
-
4.212860006
-
[PE(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...
LPE P-16:0 or LPE O-16:1
ME376595
-
-
4.218429184
-
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone
-
ME376499
-
-
4.231933339
-
FA (8:1)
Octenoic acid
ME376342
-
-
4.267660268
-
FA oxo(10:0)
-
ME376433
-
-
4.273280765
-
15-Keto-prostaglandinE2
15-Keto-PGE2
ME376569
-
C04707
4.280870819
-
LysoPE(16:1)
LPE 16:1
ME376599
-
-
4.295775096
-
FA methyl(6:0)
-
ME376326
-
-
4.328764069
-
Furfural diethyl acetal
-
ME376395
-
C14280
4.389184719
-
[FA oxo(8:1)] 5-oxo-7-octenoic acid
5-Oxo-7-octenoic acid
ME376369
-
-
4.398270534
-
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME376401
-
C16322
4.424002506
-
[FA (10:0/2:0)] Decanedioic acid
Sebacic acid
ME376462
-
C08277
4.45044227
-
FA hydroxy(7:0)
-
ME376348
-
-
4.452989745
-
FA hydroxy(10:0)
-
ME376438
-
-
4.460323138
-
3-Dimethylallyl-4-hydroxymandelic acid
-
ME376495
-
C12457
4.475070826
-
Hexanoic acid
Caproic acid
ME376311
-
C01585
4.55762693
-
Phenylpropanoate
Hydrocinnamic acid
ME376359
-
C05629
4.562405161
-
[FA hydroxy(9:0)] 2-hydroxy-nonanoic acid
-
ME376414
-
-
4.56931794
-
N-Acetylindoxyl
N-Acetylindoxyl
ME376417
-
C02298
4.570304653
-
4-Methyl-2-oxopentanoate
Ketoleucine
ME376325
-
C00233
4.586428246
-
7,8-diketopelargonate
-
ME376432
-
-
4.588025646
-
FA oxo(8:0) oxo-octanoic acid
-
ME376373
-
-
4.590156438
-
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran...
-
ME376376
-
-
4.599894949
-
Ethyl (R)-3-hydroxybutanoate
-
ME376333
-
C03499
4.609618045
-
Ethyl (R)-3-hydroxyhexanoate
Ethyl (R)-3-hydroxyhexanoate
ME376379
-
C03864
4.614402654
-
Hexanoylglycine
Hexanoylglycine
ME376406
-
-
4.618041092
-
7-oxoheptanoate
-
ME376344
-
C16590
4.619253931
-
Dimethyl adipate
Dimethyl adipate
ME376411
-
C14570
4.619277015
-
FA methyl(14:0) dodecanedioic acid
Dodecanedioic acid
ME376503
-
-
4.621800001
-
Traumatic acid
Traumatic acid
ME376489
-
C16308
4.621866735
-
1-O-(4-hydroxy-2-methylene-butanoyl)-beta-D-glucop...
-
ME376526
-
-
4.634862391
-
Vanilpyruvicacid
Vanilpyruvic acid
ME376469
-
-
4.64049725
-
Phenol sulfate
Phenyl hydrogen sulfate
ME376407
-
C02180
4.974424998
-
p-Phenolsulfonic acid
4-Hydroxybenzenesulfonic acid
ME376408
-
C12849
5.620736101
-
Ferulate
trans-Ferulic acid
ME376451
-
C01494
7.072064092
-
Apiole
Apiole
ME376484
-
C10429
7.10543968
-
4-Hydroxyhexan-3-one
4-Hydroxyhexan-3-one
ME376310
-
C02948
7.11382818
-
[FA oxo(9:0)] 2-oxo-nonanoic acid
-
ME376402
-
-
7.125670448
-
FA hydroxy(6:0)
-
ME376332
-
-
7.139879471
-
cis-4-Octenedioicacid
-
ME376399
-
-
7.150203842
-
[FA hydroxy(9:0)] 3-hydroxy-nonanoic acid
-
ME376413
-
-
7.151598691
-
Suberic acid
Suberic acid
ME376412
-
C08278
7.163755133
-
Ethyl 3-oxohexanoate
Ethyl 3-oxohexanoate
ME376372
-
C02975
7.185007653
-
1,8-Diazacyclotetradecane-2,9-dione
1,8-Diazacyclotetradecane-2,9-dione
ME376487
-
C04277
7.210861558
-
3-Methyl-2-oxobutanoic acid
Ketoisovaleric acid
ME376309
-
C00141
7.212044858
-
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
ME376573
-
-
7.231873661
-
3-Methylbutanoic acid
Isovaleric acid
ME376298
-
C08262
7.234593631
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME376572
-
C12600
7.235784827
-
FA hydroxy(8:0) hydroxy-octanoic acid
Hydroxyoctanoic acid
ME376378
-
-
7.242947427
-
FA oxo(7:0)
-
ME376343
-
-
7.247674326
-
Benzoate
Benzoic acid
ME376318
-
C00180
7.248876875
-
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME376375
-
C03087
7.251263852
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME376435
-
C01092
7.252401225
-
5-Hydroxypentanoate
5-Hydroxyvaleric acid
ME376315
-
C02804
7.252402516
-
Hippurate
Hippuric acid
ME376421
-
C01586
7.252531899
-
(S)-3-Methyl-2-oxopentanoic acid
(S)-3-Methyl-2-oxopentanoic acid
ME376324
-
C00671
7.265411533
-
3-Methyladipicacid
3-Methyladipic acid
ME376377
-
-
7.268435865
-
2-Isopropylmaleate
Isopropylmaleate
ME376371
-
C02631
7.27317947
-
O-Acetylcarnitine
CAR 2:0
ME376464
-
C02571
7.283066559
-
Isovalerylalanine
Isovalerylalanine
ME376404
-
-
7.34405768
-
5-Hydroxyferulate
-
ME376468
-
C05619
7.371349843
-
[SP] Sphing-4-enine-1-phosphate
Sphingosine 1-phosphate
ME376582
-
C06124
7.371349843
-
2-oxobut-3-enanoate
-
ME376295
-
-
7.375166575
-
5,3'-Dihydroxy-4',5'-dimethoxy-6,7-methylenedioxyi...
-
ME376574
-
-
7.375166575
-
N-Acetylmethionine
N-Acetylmethionine
ME376445
-
C02712
7.375166575
-
Psoralidin
Psoralidin
ME376565
-
C10523
7.375166575
-
(R)-2,3-Dihydroxy-3-methylpentanoate
-
ME376354
-
C06007
7.37702175
-
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME376461
-
C04067
7.377289937
-
3-Hydroxyisoheptanoicacid
3-Hydroxyisoheptanoic acid
ME376349
-
-
7.377441661
-
Thymine
Thymine
ME376321
-
C00178
7.378987503
-
13,14-Dihydro-15-oxo-lipoxin A4
-
ME376570
-
-
7.378999964
-
Ile-Thr
Ile-Thr
ME376492
-
-
7.38034668
-
Ribothymidine
Ribothymidine
ME376515
-
-
7.382841619
-
2-oxosuberate
-
ME376436
-
C16589
7.389163886
-
2 -(Butylamido)-4-hydroxybutanoic acid
-
ME376440
-
C11843
7.396943258
-
3,4-Dihydroxyphenylacetaldehyde
3,4-Dihydroxyphenylacetaldehyde
ME376361
-
C04043
7.406810099
-
(S)-2-Acetolactate
(S)-2-Acetolactate
ME376331
-
C06010
7.411271377
-
(2S)-2-Isopropyl-3-oxosuccinate
2-Isopropyl-3-oxosuccinate
ME376410
-
C04236
7.416023356
-
N-(1,3-dihydroxypropan-2-yl)-9S,11R,15S-trihydroxy...
-
ME376593
-
-
7.467394454
-
Oxoamide
Oxoamide
ME376448
-
-
7.555106227
-
8-Oxocoformycin
-
ME376530
-
C02243
7.83546064
-
N-Acetyl-L-leucine
N-Acetylleucine
ME376405
-
C02710
7.86462058
-
Uracil
Uracil
ME376303
-
C00106
7.998365233
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME376511
-
-
8.005508296
-
carbidopa
-
ME376486
-
-
8.009366608
-
5-Oxopentanoate
Glutarate semialdehyde
ME376308
-
C03273
8.019637162
-
(R)-3-Hydroxybutanoate
3R-Hydroxybutyric acid
ME376300
-
C01089
8.093431952
-
Nalpha,Nalpha-Dimethyl-L-histidine
N,N-Dimethylhistidine
ME376430
-
C04259
8.144943339
-
Dipropyl disulfide
Dipropyl disulfide
ME376358
-
C08373
8.216778564
-
Ile-Ser
Ile-Ser
ME376477
-
-
8.270887502
-
4-oxo-4-(3-pyridyl)-butanoate
-
ME376420
-
-
8.293977217
-
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME376368
-
C03680
8.360762533
-
Pyruvate
Pyruvic acid
ME376290
-
C00022
8.390488942
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME376352
-
-
8.468976644
-
2-Oxoglutaramate
2-Keto-glutaramic acid
ME376346
-
C00940
8.676133219
-
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...
Depdecin
ME376488
-
-
8.808603312
-
2-hydroxymethanesulfonate
-
ME376301
-
-
8.888106486
-
3-(4-Hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME376427
-
C03672
9.165722232
-
Tauropine
Tauropine
ME376456
-
C01616
9.28856252
-
O-Acetyl-L-homoserine
O-Acetyl-homoserine
ME376380
-
C01077
9.454719191
-
Orotate(Fragment)
Orotic acid
ME376304
-
C00295
9.637961155
-
(S)-Lactate
Lactic acid
ME376293
-
C00186
9.749640988
-
3-Oxopropanoate
Malonic semialdehyde
ME376291
-
C00222
9.753412543
-
Acetylglycine
N-Acetylglycine
ME376313
-
-
9.76271342
-
7-Ethoxycoumarin
7-Ethoxycoumarin
ME376443
-
C11052
9.769094016
-
5-6-Dihydrouridine
5,6-Dihydrouridine
ME376506
-
-
9.836072116
-
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME376480
-
C01017
9.933511183
-
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