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Return to study ST002104 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
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME512239
-
C03955
10.12375958
-
Acetylcarnitine
CAR 2:0
ME512130
-
C02571
10.23067328
-
4-Oxoproline
4-Oxo-proline
ME512022
-
C01877
10.39377421
-
Piperidine
Piperidine
ME512145
-
C01746
10.41285703
-
Maximaisoflavone B
-
ME512233
-
-
10.53080495
-
Hydroxybutyrylcarnitine
CAR 4:0;OH
ME512243
-
-
10.54875316
-
Leucine
Leucine
ME512124
-
C01570_C00123_C16439
10.60739876
-
Xanthoplanine
-
ME512167
-
-
10.75569015
-
Betaine
Betaine
ME512127
-
C00719
10.75638463
-
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3...
-
ME512238
-
-
10.86192859
-
N-(1-Deoxy-1-fructosyl)valine
-
ME512047
-
-
10.92343268
-
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrah...
-
ME512084
-
-
10.93569065
-
O-Acetylserine
O-Acetylserine
ME512067
-
C00979
10.95485402
-
Methionine
Methionine
ME512027
-
C01733_C00855_C00073
11.15351144
-
Met/Phe/Gly
Met-Phe-Gly
ME512119
-
-
11.22611147
-
4beta-Hydroxyobovatachromene
-
ME512287
-
-
11.26360191
-
Glu/Met/Phe
Glu-Met-Phe
ME512154
-
-
11.3548578
-
Tryptophan
Tryptophan
ME512032
-
C00806_C00078_C00525
11.38716567
-
N-Desmethylaminopyrine
-
ME512201
-
-
11.39538467
-
Cytosine
Cytosine
ME512258
-
C00380
11.39937678
-
N-acetyl-L-2-aminoadipate(2-)
N-Acetyl-2-aminoadipic acid
ME512207
-
C12986
11.4471995
-
3-nitro-2-pentanol
-
ME512294
-
-
11.49567548
-
N-acetyl -D- glucosaminitol
N-Acetyl-glucosaminitol
ME512115
-
-
11.49711072
-
4-Imidazolone-5-propionic acid
4-Imidazolone-5-propionic acid
ME512043
-
C03680
11.54371611
-
Ala/Cys/Ser/Thr/Thr
-
ME512255
-
-
11.57606659
-
Asp/Thr/Asp/His
-
ME512299
-
-
11.61922887
-
3-(methylsulfanyl)acryloate
-
ME512257
-
-
11.65713181
-
Imidazoleacetic acid
Imidazoleacetic acid
ME512247
-
C02835
11.71763189
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME512157
-
-
11.74021573
-
Dimethylglycine
Dimethylglycine
ME512192
-
C01026
11.7955984
-
Cytidine
Cytidine
ME512089
-
C00475_C02961
11.81551364
-
2-Aceto-2-hydroxybutanoic acid
-
ME512018
-
C06006_C00659
11.83429003
-
Pseudouridine
Pseudouridine
ME512107
-
C02067
11.85724388
-
Pipecolic acid
Pipecolic acid
ME512137
-
C00408
11.90244787
-
Valine
Valine
ME512126
-
C16436_C00183_C06417
11.92265294
-
1-Methylhistidine
1-Methylhistidine
ME512147
-
C01152
12.00943079
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME512097
-
C02727
12.18653942
-
5-Acetamidovalerate
5-Acetamidovaleric acid
ME512266
-
C03087
12.27998467
-
Glutarylcarnitine
CAR DC5:0
ME512215
-
-
12.40046177
-
Proline
Proline
ME512021
-
C00148_C00763
12.42044413
-
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME512213
-
C05828
12.53592616
-
hydroxy-N-acetyl-(L)-arginine
-
ME512073
-
-
12.61331913
-
DL-2-Aminooctanoic acid
2-Aminocaprylic acid
ME512158
-
-
12.63137765
-
Carnitine
Carnitine
ME512129
-
C00318_C00487_C15025
12.68257133
-
2-Aminoheptanoate
2-Aminoheptanoic acid
ME512139
-
-
12.69184359
-
GDP-3,6-dideoxy-D-galactose
GDP-3,6-dideoxy-D-galactose
ME512105
-
C05136
12.69221678
-
N-hydroxy-L-pipecolate
-
ME512224
-
-
12.70402036
-
N-(1-Deoxy-1-fructosyl)tyrosine
-
ME512072
-
-
12.73217044
-
glutamyl-L-alaninol
-
ME512242
-
-
12.77725308
-
Nalpha-Methylhistidine
N-Methylhistidine
ME512155
-
C03298
12.8168795
-
Adrenochrome o-semiquinone
-
ME512131
-
-
12.8412371
-
benzodiazepinedione
-
ME512196
-
-
12.93229323
-
Theanine
N(5)-Ethyl-glutamine
ME512075
-
C01047
12.9854548
-
sulfonic acid
-
ME512118
-
-
12.99562208
-
Thiomorpholine 3-carboxylate
Thiomorpholine-3-carboxylic acid
ME512143
-
C03901
12.99731298
-
Cys/Asp/Glu/Pro/Thr
-
ME512291
-
-
13.01379445
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME512083
-
C03274
13.17329006
-
Imidazoleacetic acid riboside
Imidazoleacetic acid riboside
ME512223
-
C05131
13.23121781
-
5-guanidino-3-methyl-2-oxo-pentanoate
-
ME512191
-
-
13.40604106
-
Muramic acid
Muramic acid
ME512078
-
C06470
13.52307109
-
Bis-D-fructose 2',1:2,1'-dianhydride
Bis-D-fructose 2',1:2,1'-dianhydride
ME512149
-
C04333
13.52392835
-
Fructosamine
Fructosamine
ME512187
-
-
13.55125001
-
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME512074
-
C19910
13.73715339
-
NAD
NAD
ME512070
-
C00003
13.74737572
-
3,4-dichloro-tridecanoic acid
-
ME512229
-
-
13.76691207
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME512020
-
C00670
13.80186622
-
Cys/Met/Phe/His
-
ME512159
-
-
13.84178338
-
hydrogen acetylphosphonate
-
ME512231
-
-
13.84248388
-
Mannitol
Mannitol
ME512069
-
C00392
13.90828096
-
N-Acetyldjenkolic acid
-
ME512122
-
-
13.93284166
-
Sorbitol
Sorbitol
ME512151
-
C00794
13.95819757
-
N-a-Acetyl-L-arginine
N-Acetylarginine
ME512267
-
-
14.23607962
-
Acetylcarnosine
-
ME512256
-
-
14.31501039
-
Creatine
Creatine
ME512019
-
C00300
14.39598525
-
N-Acetylglutamic acid
N-Acetylglutamic acid
ME512082
-
C00624
14.44547577
-
Dihydrothymine
Dihydrothymine
ME512045
-
C00906
14.51054144
-
Histidine
Histidine
ME512133
-
C06419_C00135
14.54871584
-
Threonine
Threonine
ME512037
-
C05519_C00820_C12317_C00188
14.62395469
-
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME512284
-
C01133
14.64225438
-
Ergothioneine
Ergothioneine
ME512206
-
C05570
14.70565438
-
Alanine
Alanine
ME512062
-
C00133_C00041
14.71463383
-
2-methylaminoacrylate
-
ME512195
-
-
14.73872003
-
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME512168
-
C01035
14.74634431
-
Phosphorylcholine
Choline phosphate
ME512023
-
C00588
14.7695594
-
N1,N8-Diacetylspermidine
N1,N8-Diacetylspermidine
ME512188
-
-
14.96245244
-
N-acetyl-9-O-acetylneuraminate
N,9-O-Diacetylneuraminate
ME512290
-
C04017
14.99423896
-
deacetylcolchicine
-
ME512297
-
-
15.0105476
-
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME512041
-
C01042
15.01958337
-
5,7-Dihydroxyflavone 7-benzoate
-
ME512234
-
-
15.0504403
-
Glutamine
Glutamine
ME512025
-
C00819_C00064
15.06112101
-
Aminoadipic acid
Aminoadipic acid
ME512088
-
C00956
15.20303542
-
Carnosine
Carnosine
ME512117
-
C00386
15.25640421
-
N2-gamma-Glutamylglutamine
gamma-Glutamylglutamine
ME512101
-
C05283
15.26498179
-
2-Diethylaminoethanol
-
ME512182
-
-
15.3071124
-
(5'-(but-3-en-1-yn-1-yl)-[2,2'-bithiophen]-5-yl)me...
-
ME512302
-
-
15.31005012
-
Dopamine quinone
Dopamine quinone
ME512222
-
C17755
15.31385964
-
aminocaproamide
-
ME512140
-
-
15.32506341
-
2-hydroxysuccinamate
-
ME512053
-
-
15.41310314
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME512116
-
C01233
15.41466238
-
Citrulline
Citrulline
ME512055
-
C00327
15.74026138
-
Taurine
Taurine
ME512040
-
C00245
15.7475191
-
Guanidoacetic acid
Guanidoacetic acid
ME512156
-
C00581
15.77916001
-
Isoputreanine
Isoputreanine
ME512276
-
-
15.87092904
-
Serine
Serine
ME512060
-
C00716_C00740_C00065
15.87182821
-
O-Phosphoethanolamine
Phosphoethanolamine
ME512240
-
C00346
15.92103188
-
Aspartyl-L-proline
Asp-Pro
ME512109
-
-
15.96311887
-
3,5-dibromocatechol
-
ME512230
-
-
16.03029633
-
furaneol glucopyranoside
-
ME512298
-
-
16.03904165
-
Ala/Glu/Glu/His/Arg
-
ME512300
-
-
16.08949696
-
Oxomemazine
-
ME512274
-
-
16.14207386
-
2-Amino-5-(methylthio)pentanoic acid
Homomethionine
ME512264
-
C17213
16.25657535
-
{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop...
-
ME512282
-
-
16.34701887
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME512061
-
C00270
16.35840159
-
Cystine
Cystine
ME512063
-
C01420_C00491
16.3815649
-
Glu/Ser/Val
Glu-Ser-Val
ME512271
-
-
16.43319168
-
malyl alpha-D-glucosaminide
-
ME512114
-
-
16.51500741
-
Ala/Asn/Ser
Ala-Asn-Ser
ME512120
-
-
16.71062953
-
Uridine diphosphate glucose
UDP-glucose
ME512091
-
C00029_C00052
16.72360586
-
Gallagic acid
-
ME512259
-
-
16.75710778
-
Adenosine triphosphate
ATP
ME512095
-
C00002
16.83604195
-
psicoselysine
Psicosyllysine
ME512066
-
-
16.91351971
-
Secologanate
Secologanate
ME512275
-
C01957
16.93820007
-
Cystathionine
Cystathionine
ME512104
-
C02291_C00542
16.95922467
-
N2-Fructopyranosylarginine
-
ME512033
-
-
17.07571726
-
4-Hydroxyglutamate semialdehyde
-
ME512246
-
C05938
17.15499425
-
N-Acetylaspartylglutamic acid
N-Acetyl-Asp-Glu
ME512058
-
C12270
17.19520506
-
Folic acid
Folic acid
ME512279
-
C00504
17.24007832
-
phenyl sulfoxide
-
ME512166
-
-
17.25199407
-
Glucose
Glucose
ME512052
-
C00031_C00221
17.2701666
-
Oxidized glutathione
Oxidized glutathione
ME512076
-
C00127
17.35878836
-
Cysteine-S-sulfate
Cysteine-S-sulfate
ME512112
-
C05824
18.74553697
-
stipitatonate
-
ME512171
-
C02080
18.77348497
-
Uridine triphosphate
UTP
ME512103
-
C00075
18.77808337
-
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
3-Hydroxy-N6,N6,N6-trimethyl-lysine
ME512241
-
C01259
19.17718584
-
Duloxetine
-
ME512272
-
-
19.23376326
-
Uridine diphosphate glucuronic acid
UDP-glucuronic acid
ME512096
-
C02330_C00617_C00167
19.68507049
-
Ile/Lys/Pro
Ile-Lys-Pro
ME512261
-
-
20.15170566
-
Ne,Ne dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME512177
-
C05545 _C05545
20.35975237
-
Arg-OEt
Ethyl arginate
ME512153
-
C01404
20.5412189
-
Arg/Thr/Pro/Pro
-
ME512289
-
-
20.61604156
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME512049
-
C03793
20.71111433
-
Lysyl-Valine
Lys-Val
ME512050
-
-
21.08725731
-
tembetarine
-
ME512295
-
-
21.10919354
-
Alanyl-Serine
Ala-Ser
ME512293
-
-
21.11498042
-
Ornithine
Ornithine
ME512054
-
C01602_C00077_C00515
21.11633334
-
N(6)-Methyllysine
N(6)-Methyllysine
ME512189
-
C02728
21.33944284
-
Targinine
Targinine
ME512252
-
C03884
21.68201428
-
Lysine
Lysine
ME512135
-
C00739_C00047
21.82268853
-
1,6,8-trimethylallantoate
-
ME512211
-
-
23.04029529
-
Arginine
Arginine
ME512031
-
C00792_C00062
23.06207499
-
Homo-L-arginine
Homoarginine
ME512100
-
C01924
23.51190488
-
Glutathione
Glutathione
ME512080
-
C00051_C02471
27.08042506
-
PS(20:1/22:6)
PS 20:1/22:6
ME512277
-
-
2.992513168
-
PS(22:5/22:5)
PS 22:5/22:5
ME512180
-
-
2.997079997
-
PC(MonoMe(11,3)/MonoMe(11,3))
-
ME512208
-
-
3.002416034
-
PS(16:0/18:0)
PS 16:0/18:0
ME512281
-
-
3.018827993
-
PS(18:0/18:0)
PS 18:0/18:0
ME512228
-
-
3.01947403
-
PA(35:6)
PA 35:6
ME512079
-
-
3.019796095
-
Ala/Phe/Lys/Arg/Arg
-
ME512216
-
-
3.028389165
-
PS(41:6)
PS 41:6
ME512106
-
-
3.034194038
-
Montalicin A
-
ME512086
-
-
3.035499483
-
PS(18:0/18:2)
PS 18:0/18:2
ME512110
-
-
3.039664097
-
PS(39:4)
PS 39:4
ME512102
-
-
3.042838106
-
Phe/Phe/Ile/Met/Pro
-
ME512226
-
-
3.086838871
-
Glu/Ile/Pro/Pro/Tyr
-
ME512262
-
-
3.117830973
-
Pentadecanoylcarnitine
CAR 15:0
ME512174
-
-
3.14178522
-
9'-Carboxy-alpha-chromanol
-
ME512142
-
-
3.147540423
-
N-(2-hydroxypentadecanoyl)-phytosphingosine
Cer 18:0;O3/15:0;O
ME512270
-
-
3.153008718
-
3,4-Dimethyl-5-pentyl-2-furanundecanoic acid
-
ME512200
-
-
3.15491397
-
HETE di-endoperoxide
HETE di-endoperoxide
ME512219
-
-
3.174684761
-
2-Heptenal
2-Heptenal
ME512285
-
-
3.192431259
-
PC(18:1/22:6)
PC 18:1/22:6
ME512186
-
C00157
3.194739229
-
PC(16:0/22:6)
PC 16:0/22:6
ME512183
-
C00157
3.211304256
-
PC(16:0/22:5)
PC 16:0/22:5
ME512163
-
C00157
3.235439519
-
PC(14:0/22:4)
PC 14:0/22:4
ME512184
-
C00157
3.244068109
-
erucamide
13Z-Docosenamide
ME512044
-
-
3.247200406
-
PE(15:0/20:2)
PE 15:0/20:2
ME512172
-
C00350
3.250589772
-
Octadecyl fumarate
-
ME512064
-
-
3.262378479
-
PE(16:0/16:0(9Cp))
-
ME512185
-
C00350
3.264510228
-
PC(14:1/22:2)
PC 14:1/22:2
ME512173
-
C00157
3.267344767
-
PC(16:0/22:4)
PC 16:0/22:4
ME512169
-
C00157
3.275520942
-
PC(14:0/20:2)
PC 14:0/20:2
ME512152
-
C00157
3.283296676
-
PC(12:0/20:1)
PC 12:0/20:1
ME512150
-
C00157
3.297109549
-
Dehydrophytosphingosine
Dehydrophytosphingosine
ME512286
-
-
3.327664566
-
PC(18:1/18:1)
PC 18:1/18:1
ME512148
-
C00157
3.356916664
-
3-Oxooctadecanoic acid
-
ME512108
-
-
3.371353803
-
6,9,12,15,18,21-Tetracosahexaynoic acid
-
ME512113
-
-
3.428761916
-
2-{4-[-1,2-diphenylbut-1-en-1-yl]phenoxy}acetic ac...
-
ME512283
-
-
3.446068625
-
1,2-dioctanoyl-1,2,6-hexanetriol
-
ME512132
-
-
3.45713136
-
N-(2-hydroxytridecanoyl)-4,8-sphingadienine
-
ME512268
-
-
3.470796288
-
N-(2-hydroxyundecanoyl)-4,8-sphingadienine
-
ME512251
-
-
3.523007549
-
20-hydroxy-fusarin
-
ME512164
-
-
3.528633372
-
Chloropyramine
-
ME512090
-
-
3.543776263
-
eicoseneoylcarnitine
-
ME512179
-
-
3.585953036
-
tirandamycin E
-
ME512288
-
-
3.664183384
-
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohe...
-
ME512236
-
-
3.674879564
-
Oleoylcarnitine
CAR 18:1
ME512141
-
-
3.693163067
-
FA (13:2) tridecadienoic acid
Tridecadienoic acid
ME512212
-
-
3.710076262
-
Methyl cinnamate
Methyl cinnamate
ME512254
-
C06358
3.730180422
-
Linoelaidyl carnitine
CAR 18:2(9E,12E)
ME512198
-
-
3.764024237
-
LysoPC(18:1)
LPC 18:1
ME512176
-
C03916_C04230
3.792150494
-
triethylene glycol
-
ME512250
-
-
3.812370402
-
trans-Hexadec-2-enoyl carnitine
CAR 16:1(2E)
ME512165
-
-
3.865081935
-
3-Indoleglycolaldehyde
-
ME512056
-
C03230
3.872291914
-
Palmitoylcarnitine
CAR 16:0
ME512144
-
C02990
3.911994158
-
trans-2-Tetradecenoylcarnitine
trans-2-Tetradecenoylcarnitine
ME512235
-
-
3.962602743
-
3b,12a-Dihydroxy-5a-cholanoic acid
-
ME512059
-
C04483_C15515_C17687_C17660_C02528_C17662_C17646_C07880_C17664_C15517_C17661
4.060460542
-
Tetracosahexaenoic acid
Tetracosahexaenoic acid
ME512210
-
-
4.074631529
-
1,2-dioctanoyl-1-amino-2,3-propanediol
-
ME512227
-
-
4.204754398
-
Octaethylene glycol
Octaethylene glycol
ME512162
-
-
4.212858346
-
2-Hydroxyundecanoate
-
ME512017
-
-
4.278960845
-
Asp/Gly/His/Pro/Trp
-
ME512273
-
-
4.290866852
-
Heptaethylene glycol
Heptaethylene glycol
ME512161
-
-
4.304025459
-
Ala/Asp/Asp/Asp/Glu
-
ME512244
-
-
4.916699982
-
Indoleacetaldehyde
Indoleacetaldehyde
ME512181
-
C00637
5.420926739
-
1,8-Diazacyclotetradecane-2,9-dione
1,8-Diazacyclotetradecane-2,9-dione
ME512035
-
C04277
7.050813726
-
Desmosflavone
Dasytrichone
ME512199
-
C10035
7.055773817
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME512036
-
C00170
7.096168635
-
Glu/Met/Met/Tyr
-
ME512170
-
-
7.097808293
-
Phenylacetylglycine
Phenylacetylglycine
ME512042
-
C05598
7.100746649
-
Hippuric acid
Hippuric acid
ME512046
-
C01586
7.103551403
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME512028
-
C12600
7.115219044
-
6,11-dihydroxy-3-(hydroxymethyl)-7-(3,4,5-trihydro...
-
ME512068
-
-
7.116094753
-
formylaminopyrimidine
-
ME512039
-
-
7.119279989
-
N-lactoyl-Tryptophan
N-Lactoyl tryptophan
ME512094
-
-
7.126369147
-
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME512081
-
C01250
7.127906218
-
Picolinamide
Picolinamide
ME512029
-
C01950
7.154735413
-
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME512136
-
-
7.222680475
-
2-O-Methylcytosine
2-O-Methylcytosine
ME512205
-
-
7.29478747
-
ATPA
(S)-ATPA
ME512296
-
C13733
7.299075492
-
Dihydrozeatin riboside monophosphate
-
ME512138
-
C16445
7.326868576
-
2-oxohexa-4,5-cyclopropyl-5-enoate
-
ME512071
-
-
7.333298042
-
Tiglylcarnitine
CAR 4:1;2Me
ME512214
-
-
7.415704273
-
Pyridoxine
Pyridoxine
ME512024
-
C00314
7.559839972
-
3,4-Dehydrothiomorpholine-3-carboxylate
-
ME512245
-
C04445
7.58372431
-
4-Nitroaniline
4-Nitroaniline
ME512111
-
C02126
7.599432933
-
Phlorin
Phlorin
ME512218
-
-
7.603304591
-
3-(Cystein-S-yl)acetaminophen
3-(Cystein-S-yl)acetaminophen
ME512193
-
-
7.652682638
-
Indoxyl
Indoxyl
ME512197
-
C05658
7.736745685
-
3-hydroxypyridine
3-Hydroxypyridine
ME512278
-
-
7.755228717
-
CHAPS
CHAPS
ME512225
-
C11321
7.816233797
-
Butyrylcarnitine
CAR 4:0
ME512128
-
C02862
7.893725395
-
N,N-dihydroxyhomomethionine
-
ME512217
-
-
7.911130524
-
Pyridoxal
Pyridoxal
ME512190
-
C00250
7.945792135
-
Ala/Met/Pro/Tyr
-
ME512092
-
-
7.956860962
-
8-Oxocoformycin
-
ME512265
-
C02243
7.958630037
-
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME512260
-
-
8.028132337
-
2,3-Diaminosalicylic acid
2,3-Diaminosalicylic acid
ME512269
-
-
8.032557072
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME512099
-
-
8.099926288
-
Lenticin
Lenticin
ME512292
-
C09213
8.112739995
-
biolumazine
-
ME512263
-
-
8.144029817
-
Indolelactic acid
Indolelactic acid
ME512057
-
C02043
8.157090977
-
norcisapride
-
ME512175
-
-
8.236351075
-
N-hydroxyvaline
N-Hydroxy-valine
ME512280
-
-
8.326837045
-
1-Isothiocyanato-7-(methylsulfinyl)heptane
-
ME512232
-
-
8.329742788
-
Uracil
Uracil
ME512093
-
C00106
8.36096908
-
Adenosine
Adenosine
ME512051
-
C00212_C07195
8.401773798
-
Fasoracetam
Fasoracetam
ME512098
-
C13311
8.422598572
-
2,5,6-Trihydroxy-5,6-dihydroquinoline
-
ME512087
-
C06339
8.445387777
-
3-Aminobenzenesulfonate
-
ME512209
-
C06334
8.468617346
-
dodecyltrimethylammonium
-
ME512146
-
-
8.499931925
-
Triethanolamine
Triethanolamine
ME512249
-
C06771
8.513761202
-
CAPS
-
ME512160
-
-
8.574380871
-
Pantothenic acid
Pantothenic acid
ME512030
-
C00864
8.585185256
-
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-ca...
-
ME512048
-
C12245
8.731293771
-
Penicilloic acid
-
ME512034
-
-
8.743831961
-
N-(1-Deoxy-1-fructosyl)phenylalanine
-
ME512038
-
-
8.830106818
-
Arbutin
Arbutin
ME512194
-
C06186
8.934136672
-
Adenine
Adenine
ME512237
-
C00147
8.942049549
-
Propionylcarnitine
CAR 3:0
ME512125
-
C03017
8.955761893
-
Met/Cys/Pro
Met-Cys-Pro
ME512085
-
-
9.00081081
-
Allysine
Allysine
ME512077
-
C01475_C04076
9.021840871
-
Slaframine
Slaframine
ME512202
-
C06185
9.065047874
-
5-Methylcytosine
5-Methylcytosine
ME512203
-
C02376
9.131463167
-
N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)...
-
ME512301
-
C01314
9.17302653
-
Ala/Thr/Ser/Tyr
-
ME512221
-
-
9.226063232
-
Isoleucylproline
Ile-Pro
ME512204
-
-
9.230153344
-
Creatinine
Creatinine
ME512026
-
C00791
9.321011847
-
Ile/Thr/Ser/Ser
-
ME512178
-
-
9.346748034
-
benzenamine sulfate
Benzenamine sulfate
ME512248
-
-
9.430128753
-
Phenylalanine
Phenylalanine
ME512123
-
C02265_C00079
9.674719069
-
metoprine
-
ME512253
-
D00309
9.67577192
-
Glutarylglycine
Glutarylglycine
ME512220
-
-
9.691192627
-
Pyrogallol-2-O-glucuronide
-
ME512121
-
-
9.763692983
-
Fulvinervin B
-
ME512134
-
-
9.767378047
-
Hypoxanthine
Hypoxanthine
ME512065
-
C00262
9.927632258
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Lactic acid
Lactic acid
ME512306
-
C00186_C00256
10.13644117
-
N-Acetyl-D-mannosaminolactone
N-Acetylmannosaminolactone
ME512340
-
C03776
10.35212314
-
gamma-Glutamylvaline
gamma-Glutamylvaline
ME512401
-
-
10.68083218
-
1-Nitrohexane
-
ME512313
-
-
10.79952876
-
Ethiin
Ethiin
ME512408
-
-
10.80382397
-
4'-methoxycyclopenine
-
ME512425
-
-
10.80565907
-
1-carboxymethylpyridinium
-
ME512417
-
-
11.16362587
-
3-Dehydroquinate
3-Dehydroquinate
ME512370
-
C00944
11.35446382
-
N-Nitrosoproline
N-Nitrosoproline
ME512409
-
C19485
12.12903341
-
4-methylmorpholine N-oxide
-
ME512318
-
-
12.13419421
-
Glyceric acid
Glyceric acid
ME512418
-
C00258
12.27347293
-
a phenothiazine
-
ME512375
-
-
12.43674032
-
Cyclovariegatin
-
ME512387
-
-
12.56676658
-
Tyrosine
Tyrosine
ME512319
-
C06420_C00082_C01536
12.83627084
-
Arabitol
Arabitol
ME512395
-
C01904_C00379_C00474
12.87033433
-
Viscutin 1
-
ME512396
-
-
13.55056712
-
cis-Acetylacrylate
-
ME512411
-
C07091
13.56483113
-
Galactose
Galactose
ME512346
-
C00124_C00984
13.5749462
-
Malonic semialdehyde
Malonic semialdehyde
ME512421
-
C00222
13.62964068
-
12-epi-hapalindole F (isothiocyanate)
-
ME512399
-
-
13.81649495
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME512353
-
C00093_C00623
13.84512806
-
His/Met/Phe/Gly
-
ME512437
-
-
13.9218611
-
Voglibose
-
ME512435
-
-
14.13967997
-
tunicamine
-
ME512377
-
-
14.25796231
-
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME512342
-
C01073
14.28775001
-
2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosp...
-
ME512403
-
C04752
14.37275728
-
Fructose
Fructose
ME512327
-
C00095
14.40087026
-
2-Hydroxy-2,4-pentadienoate
2-Hydroxypenta-2,4-dienoic acid
ME512372
-
C00596
14.45636786
-
N3-hydroxyethylcytosine
-
ME512344
-
-
14.51896763
-
Allantoin
Allantoin
ME512391
-
C02348_C01551_C02350
14.53762469
-
3-Ethylmalate
-
ME512355
-
C01989
14.60568194
-
Trifluoroacetic acid
-
ME512384
-
-
14.61638028
-
2-C-Methyl-D-erythritol 4-phosphate
-
ME512311
-
C11434
14.96806125
-
N-phosphocreatinate(2-)
-
ME512407
-
-
15.22785346
-
Uridine diphosphate-N-acetylglucosamine
UDP-N-acetylglucosamine
ME512398
-
C00203_C01170_C00043
15.24774466
-
Succinic acid
Succinic acid
ME512332
-
C00042
15.74360317
-
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME512347
-
C02630_C03196_C01087
15.75216405
-
1-Pyrroline-5-carboxylic acid
1-Pyrroline-5-carboxylic acid
ME512362
-
C03912_C04322
15.88918657
-
Carmustine
Carmustine
ME512412
-
C06873
15.93302334
-
N-(1-Deoxy-1-fructosyl)proline
-
ME512427
-
-
16.02846137
-
pyrithiamine phosphate
-
ME512420
-
-
16.25146342
-
Oxoglutaric acid
2-Oxoglutaric acid
ME512322
-
C00026
16.37010951
-
Hydroxypyruvic acid
Hydroxypyruvic acid
ME512413
-
C00168
16.46751265
-
Malic acid
Malic acid
ME512312
-
C00497_C00149_C03668
16.65847421
-
Quercetin 3'-sulfate
-
ME512434
-
C00616
17.20738864
-
Gln/Leu/Lys/Tyr
-
ME512439
-
-
17.24690023
-
potassium dihydrogen phosphate
-
ME512360
-
-
17.24727789
-
Ribitol 5-phosphate
-
ME512373
-
C03509_C02883_C01068_C02895
17.27354028
-
rCdRP
-
ME512440
-
-
17.36391602
-
aureothricin
-
ME512438
-
-
17.62434726
-
ADP-Mannose
-
ME512430
-
C06192_C00498
17.94553856
-
Phosphohydroxypyruvic acid
Phosphohydroxypyruvic acid
ME512397
-
C03232
18.75098314
-
5-Dehydro-4-deoxy-D-glucarate
-
ME512315
-
C03921_C00679
18.90055817
-
Citric acid
Citric acid
ME512351
-
C00158
20.08283747
-
hydroxypyridine N-oxide
-
ME512423
-
-
20.14791667
-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate
-
ME512392
-
C04690
20.23195511
-
Glyceryl lactopalmitate
-
ME512436
-
-
20.53603035
-
(2R,4S)-2,4-Diaminopentanoate
-
ME512389
-
C03943
23.03578827
-
Secobarbital
Secobarbital
ME512429
-
-
27.43339579
-
Ala/Ile/Ile/Val/Val
-
ME512431
-
-
27.43679988
-
Ala/Leu/Arg/Arg
-
ME512333
-
-
27.48684565
-
Brassicanal B
-
ME512441
-
-
27.61085002
-
Koryoginsenoside R1
-
ME512378
-
-
2.996265169
-
PG(22:6/22:6)
PG 22:6/22:6
ME512348
-
-
2.99679601
-
PGP(a-13:0/i-22:0)
-
ME512419
-
-
2.999292086
-
PG(18:1/22:6)
PG 18:1/22:6
ME512366
-
-
3.0024314
-
PG(16:0/18:2)
PG 16:0/18:2
ME512415
-
-
3.016393593
-
PG(16:0/18:1)
PG 16:0/18:1
ME512393
-
C13883
3.028012828
-
PS(37:1)
PS 37:1
ME512379
-
-
3.050147219
-
PI(18:1/20:4)
PI 18:1/20:4
ME512402
-
C00626
3.054192949
-
PI(16:0/20:2)
PI 16:0/20:2
ME512383
-
C00626
3.054793588
-
PI(16:0/22:4)
PI 16:0/22:4
ME512365
-
C00626
3.061334804
-
2-Methylacetophenone
2-Methylacetophenone
ME512367
-
C07874
3.135650011
-
2-Dodecylbenzenesulfonic acid
2-Dodecylbenzenesulfonic acid
ME512338
-
-
3.161508557
-
N-Undecylbenzenesulfonic acid
N-Undecylbenzenesulfonic acid
ME512328
-
-
3.211651385
-
sodium dodecyl sulfate
-
ME512304
-
-
3.235886269
-
Stearic acid
Stearic acid
ME512310
-
C01530
3.246804612
-
octadecenoic acid
Octadecenoic acid
ME512331
-
-
3.2619292
-
Heptadecanoic acid
Margaric acid
ME512357
-
-
3.271379611
-
Arachidonic acid
Arachidonic acid
ME512368
-
C00219
3.281464965
-
FA (18:2)
Octadecadienoic acid
ME512356
-
-
3.284199187
-
Palmitic acid
Palmitic acid
ME512308
-
C00249
3.32601752
-
Palmitoleic acid
Palmitoleic acid
ME512369
-
C08362
3.334053842
-
FA methyl(14:0)
-
ME512364
-
C16665
3.347543335
-
Myristic acid
Myristic acid
ME512323
-
C06424
3.382174149
-
ascr#24
-
ME512359
-
-
3.396561598
-
FA oxo(16:0)
-
ME512404
-
-
3.419472641
-
Tridecanoic acid
Tridecylic acid
ME512390
-
C13795_C17076
3.423654588
-
2-trans,6-trans-Farnesal
(2-trans,6-trans)-Farnesal
ME512345
-
C03461
3.460189578
-
Dodecanoic acid
Lauric acid
ME512330
-
C02679
3.463230851
-
Phytuberin
Phytuberin
ME512336
-
C09709
3.464732501
-
trans-Dodec-2-enoic acid
2E-Dodecenoyl-CoA
ME512376
-
-
3.500859618
-
Undecanoic acid
Undecylic acid
ME512350
-
C17715
3.515979163
-
Argenonic acid
-
ME512329
-
-
3.542794177
-
alpha-Irone
alpha-Irone
ME512371
-
C09690_C11350
3.547197914
-
xi-gamma-Undecalactone
gamma-Undecalactone
ME512305
-
C08571
3.558906405
-
Capric acid
Capric acid
ME512339
-
C01571
3.596974163
-
Lys/Lys/Lys/Met/Tyr
-
ME512374
-
-
3.611557562
-
3''-Chloro-3''-deoxytriphasiol
-
ME512307
-
-
3.627830949
-
indole-3-acetyl-isoleucine
-
ME512334
-
-
3.636291665
-
Neryl formate
-
ME512363
-
C12294
3.650137108
-
FA methyl(8:0)
-
ME512325
-
-
3.710087477
-
Cys/Met/Met/Met/Trp
-
ME512354
-
-
3.813488476
-
Asp/Arg/Arg/Thr/Tyr
-
ME512400
-
-
3.821107156
-
Glucosylsphingosine
Psychosine
ME512405
-
C03108_C01747
3.838716703
-
Phe/Ile/Met/Arg/Val
-
ME512388
-
-
3.845030987
-
Caprylic acid
Caprylic acid
ME512361
-
C06423
3.907744993
-
Phenol sulphate
Phenyl hydrogen sulfate
ME512380
-
C02180
5.309787656
-
10-hydroxy-undecanoic acid
-
ME512303
-
-
6.747055435
-
2-Hydroxycaproic acid
2-Hydroxyhexanoic acid
ME512337
-
-
7.070613451
-
Pimelic acid
Pimelic acid
ME512343
-
C02656
7.077614568
-
Phenyllactic acid
Phenyllactic acid
ME512316
-
C05607_C01479
7.084584743
-
4-Hydroxy tolbutamide
4-Hydroxy tolbutamide
ME512326
-
-
7.095651136
-
5-Hydroxypentanoic acid
5-Hydroxyvaleric acid
ME512320
-
C02804
7.103630397
-
alpha-Ketoisovaleric acid
Ketoisovaleric acid
ME512309
-
C00141
7.10670915
-
2-Hydroxy-4-(methylthio)butanoic acid
2-Hydroxy-4-(methylthio)butanoic acid
ME512321
-
-
7.108502625
-
5-Sulfoxymethylfurfural
-
ME512324
-
-
7.284512716
-
UDP-2-acetamido-3-acetamidino-2,3-dideoxy--D-mannu...
-
ME512349
-
-
7.333868069
-
Indolepyruvate
Indolepyruvate
ME512381
-
C00331
7.353284103
-
(R) 2,3-Dihydroxy-3-methylvalerate
-
ME512406
-
C06007_C04104
7.526426668
-
Norepinephrine sulfate
Norepinephrine sulfate
ME512428
-
-
7.668728823
-
3,3'-Thiobispropanoic acid
3,3'-Thiobispropanoic acid
ME512394
-
-
7.771898571
-
PA(30:3)
PA 30:3
ME512416
-
-
7.805638631
-
Deoxyuridine
Deoxyuridine
ME512424
-
C00526
7.847187321
-
Cys/Lys/Lys/Gln/Arg
-
ME512414
-
-
7.855500002
-
casuarine
-
ME512426
-
-
7.963531494
-
5-Pyridoxolactone
5-Pyridoxolactone
ME512432
-
C06052
8.058618969
-
FMPP
-
ME512422
-
-
8.119407868
-
4-Hydroxybutyric acid
4-Hydroxybutyric acid
ME512382
-
C00989_C01991
8.369294712
-
2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid
-
ME512335
-
C05350
8.385433907
-
Ala/Cys/His/Asn/Gln
-
ME512385
-
-
8.652001415
-
Pyruvic acid
Pyruvic acid
ME512341
-
C00022
8.722157949
-
4-Hydroxymethylphenylhydrazine
4-(Hydroxymethyl)phenylhydrazine
ME512433
-
C03994
8.724079955
-
N-Desmethylzopiclone
-
ME512352
-
-
8.732777681
-
1-thio--D-glucose
-
ME512410
-
-
8.778218825
-
4-({2-[(3-{2-[2-(acetyloxy)propan-2-yl]-7-oxo-2H,3...
-
ME512386
-
-
8.93506457
-
Hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME512317
-
C03964_C03672
9.450041504
-
Ala/Met/Thr/Asp
-
ME512358
-
-
9.649399143
-
tyrosinal
-
ME512314
-
-
9.671934616
-
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