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Return to study ST001204 main page
Analysis: pHILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Asp-Val-Pro-Ser
-
ME285184
-
-
10.08192992
-
Homostachydrine
(S)-Homostachydrine
ME285263
-
C08283
10.08847763
-
FA (14:1)nonanoic acid
-
ME285235
-
-
10.14797794
-
6-methyltetrahydropterin
6-Methyltetrahydropterin
ME285142
-
-
10.19581853
-
Tussilagine
Tussilagine
ME285453
-
C10411
10.34314378
-
5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyfla...
-
ME285133
-
-
10.43154526
-
Met-Ala
Met-Ala
ME285311
-
-
10.44929868
-
Met-Ser
Met-Ser
ME285314
-
-
10.45167427
-
4-Aminobutanal
4-Aminobutyraldehyde
ME285128
-
C00555
10.48599319
-
Biotin amide
Biotin amide
ME285187
-
C01893
10.56221879
-
[PR] Farnesyl pyrophosphate
Farnesyl diphosphate
ME285084
-
C00448
10.74672841
-
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME285136
-
C00643
10.77649248
-
Asn-Leu-Pro-Pro
-
ME285174
-
-
10.8212592
-
L-gamma-glutamyl-L-isoleucine
gamma-Glutamylisoleucine
ME285279
-
-
10.89072596
-
[SP (14:0)] N-(tetradecanoyl)-1-beta-glucosyl-sphi...
GlcCer 18:0;O2/14:0
ME285086
-
-
10.91374516
-
Inosine
Inosine
ME285271
-
C00294
10.94829759
-
Glu-His-Val
Glu-His-Val
ME285252
-
-
10.95152197
-
Ile-Cys-Gly
Ile-Cys-Gly
ME285267
-
-
10.95963642
-
Otonecine
Otonecine
ME285352
-
C10356
11.1624718
-
Magnoshinin
Magnoshinin
ME285309
-
C10658
11.16998426
-
Thr-Pro
Thr-Pro
ME285447
-
-
11.35326735
-
Ala-Pro
Ala-Pro
ME285163
-
-
11.36470542
-
Hydroxybutyrylcarnitine
CAR 4:0;OH
ME285264
-
-
11.39843879
-
3-Methyleneoxindole
3-Methyleneoxindole
ME285126
-
C02796
11.55962333
-
dibenzothiophene-5-oxide
-
ME285220
-
-
11.71448413
-
Leu-Leu-Leu-Leu
-
ME285278
-
-
11.73008203
-
N-Acetyl-L-leucine
N-Acetylleucine
ME285328
-
C02710
11.79906385
-
Glu-Met-Ser
Glu-Met-Ser
ME285253
-
-
11.81282416
-
Gly-His
Gly-His
ME285257
-
-
11.84214956
-
Glu-Cys-Thr
Glu-Cys-Thr
ME285248
-
-
11.87850048
-
L-Carnitine
Carnitine
ME285276
-
C00487
11.8797686
-
L-isoleucyl-L-proline
Ile-Pro
ME285282
-
-
11.93666769
-
Orotate
Orotic acid
ME285351
-
C00295
11.98575237
-
Slaframine
Slaframine
ME285419
-
C06185
12.02098464
-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
-
ME285108
-
-
12.02237043
-
Heterodendrin
Heterodendrin
ME285261
-
C08332
12.06023334
-
N-acetyl -D- glucosaminitol
N-Acetyl-glucosaminitol
ME285325
-
-
12.08642279
-
Val-Ala
Val-Ala
ME285456
-
-
12.09924337
-
Gly-Gly-Pro
Gly-Gly-Pro
ME285256
-
-
12.2651517
-
N-Ethylmaleimide
N-Ethylmaleimide
ME285338
-
C02441
12.26950226
-
Guanine
Guanine
ME285258
-
C00242
12.29290755
-
L-beta-aspartyl-L-leucine
-
ME285275
-
-
12.29524517
-
2-Amino-2-deoxy-D-gluconate
Glucosaminic acid
ME285106
-
C03752
12.390852
-
L-Pipecolate
Pipecolic acid
ME285286
-
C00408
12.41124127
-
4-Aminobutanoate
gamma-Aminobutyric acid
ME285129
-
C00334
12.42204659
-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
(S)-5-Amino-3-oxohexanoate
ME285078
-
C03656
12.43107228
-
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME285320
-
C01152
12.45356066
-
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME285326
-
C01133
12.54436903
-
GDP-3,6-dideoxy-D-galactose
GDP-3,6-dideoxy-D-galactose
ME285245
-
C05136
12.54691515
-
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME285134
-
C03087
12.56342678
-
4-Hydroxy-4-methylglutamate
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME285131
-
C06034
12.64039502
-
3-Methyl-2-oxobutanoic acid
Ketoisovaleric acid
ME285125
-
C00141
12.6661393
-
[Fv hydroxy,methoxy,methyl,acetyl(5:0)] 3,4,2',3',...
-
ME285079
-
-
12.72547124
-
2-Amino-9,10-epoxy-8-oxodecanoic acid
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME285109
-
C12027
12.74097911
-
6,7-Dimethyl-8-(1-D-ribityl)lumazine
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME285138
-
C04332
12.83120704
-
Ribitol
Ribitol
ME285414
-
C00474
12.88561343
-
Ectoine
Ectoine
ME285225
-
C06231
12.94556569
-
NADH
NADH
ME285334
-
C00004
13.05986812
-
D-Glucono-1,5-lactone
Gluconolactone
ME285215
-
C00198
13.20764622
-
Heme
Heme
ME285259
-
C00032
13.20997466
-
L-Methionine S-oxide
Methionine sulfoxide
ME285283
-
C02989
13.21186567
-
Met-Thr-Asp
Met-Thr-Asp
ME285315
-
-
13.22215492
-
Ophthalmicacid
Ophthalmic acid
ME285350
-
-
13.2693704
-
Ile-Leu
Ile-Leu
ME285268
-
-
13.30902429
-
Met-Asp-Ser
Met-Asp-Ser
ME285312
-
-
13.40407042
-
N-Acetylornithine
N-Acetylornithine
ME285331
-
C00437
13.45209316
-
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME285415
-
C00021
13.55708455
-
N-Acetyl-D-mannosamine
N-Acetyl-mannosamine
ME285327
-
C00645
13.56933695
-
Asn-Pro
Asn-Pro
ME285176
-
-
13.66761374
-
Pyridoxine phosphate
Pyridoxine 5'-phosphate
ME285413
-
C00627
13.68402663
-
Cytidine
Cytidine
ME285204
-
C00475
13.68997316
-
Lys-Val
Lys-Val
ME285308
-
-
13.69139568
-
3-beta-D-Galactosyl-sn-glycerol
Galactosylglycerol
ME285122
-
C05401
13.70565342
-
Glycyl-leucine
Gly-Leu
ME285255
-
C02155
13.73004022
-
penem CGP31608
-
ME285397
-
-
13.81190409
-
Nicotinamide D-ribonucleotide
Nicotinamide ribotide
ME285341
-
C00455
13.88955796
-
L-Histidine
Histidine
ME285280
-
C00135
13.89556537
-
Asp-Leu-Lys-Asp
-
ME285182
-
-
13.98591654
-
PIPES
-
ME285401
-
-
14.00893752
-
Met-Met-Met
Met-Met-Met
ME285313
-
-
14.00950597
-
Dihydrochelirubine
Dihydrochelirubine
ME285221
-
C05194
14.02858109
-
Cyclic ADP-ribose
Cyclic ADP-ribose
ME285202
-
C13050
14.0894628
-
6-Acetyl-D-glucose
6-Acetylglucose
ME285139
-
C02655
14.10226253
-
N2-(D-1-Carboxyethyl)-L-arginine
D-Octopine
ME285321
-
C04137
14.11238701
-
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME285135
-
C03771
14.13336091
-
Asp-Met-Gln-Gln
-
ME285183
-
-
14.14055049
-
Homocarnosine
Homocarnosine
ME285262
-
C00884
14.17306774
-
Decanoyl-CoA
Decanoyl-CoA
ME285208
-
C05274
14.18257326
-
Ala-Lys-Lys-Asp
-
ME285161
-
-
14.1951682
-
L-Valine
Valine
ME285289
-
C00183
14.29307365
-
Cinchonain 1a
-
ME285195
-
C10217
14.32854505
-
Cerulenin
Cerulenin
ME285191
-
C12058
14.45105605
-
3,3',4',5,7-Pentahydroxy-8-methoxyflavone
Corniculatusin
ME285118
-
C04527
14.54782582
-
gamma-thiomethyl glutamate
-
ME285070
-
-
14.56681882
-
Glu-Ala-Ser
Glu-Ala-Ser
ME285247
-
-
14.56832562
-
Proteacin
Proteacin
ME285402
-
C08339
14.57804827
-
Thiamin diphosphate
Thiamine diphosphate
ME285442
-
C00068
14.5980897
-
Antheridiogen-An
Antheridic acid
ME285165
-
C09062
14.63952408
-
6-Hydroxyl-1,6-dihydropurine ribonucleoside
6-Hydroxyl-1,6-dihydropurine ribonucleoside
ME285140
-
C04583
14.6564447
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME285329
-
C00270
14.70479945
-
Ala-Lys-Asp-Pro
-
ME285160
-
-
14.71401082
-
Taurine
Taurine
ME285436
-
C00245
14.72186935
-
2(alpha-D-Mannosyl)-D-glycerate
2-(alpha-D-mannosyl)-D-glyceric acid
ME285103
-
C11544
14.72938857
-
2-amino-2-deoxyglucitol-6-phosphate
-
ME285107
-
-
14.73609396
-
Ala-His
Ala-His
ME285154
-
-
14.76440172
-
2-(acetylamino)-1-5-anhydro-2-deoxy-3-O-b-D-galact...
-
ME285102
-
-
14.81106136
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME285323
-
C12986
14.84494305
-
D-4'-Phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME285205
-
C03492
14.91268136
-
Epigallocatechin 3,5,-di-O-gallate
Epigallocatechin 3,5,-di-O-gallate
ME285227
-
-
14.91320275
-
Glu-Pro
Glu-Pro
ME285254
-
-
14.94192064
-
Evoxanthidine
Evoxanthidine
ME285231
-
C10668
14.95112892
-
N-Acetyl-O-acetylneuraminate
-
ME285330
-
C03708
14.95367349
-
Phosphocreatine
Phosphocreatine
ME285400
-
C02305
15.0043993
-
Saphenic acid methyl ester
Saphenic acid methyl ester
ME285417
-
C12118
15.0128816
-
L-Alanine
Alanine
ME285274
-
C00041
15.04655355
-
Apigenin 7-(6''-malonylglucoside)
Apigenin 7-O-(6-malonyl-beta-D-glucoside)
ME285166
-
C10020
15.10330321
-
L-Homocitrulline
Homocitrulline
ME285281
-
C02427
15.10901221
-
Aspartyl-L-proline
Asp-Pro
ME285180
-
-
15.11830926
-
Lys-Pro
Lys-Pro
ME285305
-
-
15.1270347
-
Thr-Ala-Pro
Thr-Ala-Pro
ME285444
-
-
15.13417726
-
2,3-Dimethylmaleate
Dimethyl maleate
ME285104
-
C00922
15.15649795
-
dCMP
dCMP
ME285206
-
C00239
15.18694308
-
Glu-Gly
Glu-Gly
ME285251
-
-
15.19613666
-
Epsilon-(gamma-Glutamyl)-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME285228
-
-
15.213536
-
Ala-Glu-Glu-His
-
ME285153
-
-
15.24980213
-
N-Carbamyl-L-glutamate
Carglumic acid
ME285336
-
C05829
15.25694599
-
Lys-Thr-Thr
Lys-Thr-Thr
ME285307
-
-
15.30198778
-
Benzene-1,2,4-triol
1,2,4-Trihydroxybenzene
ME285185
-
C02814
15.32550291
-
Lys-Thr-Ser
Lys-Thr-Ser
ME285306
-
-
15.39903286
-
Asn-Lys-Gly-Pro
-
ME285175
-
-
15.44561984
-
Thr-Asp
Thr-Asp
ME285445
-
-
15.50825687
-
Ala-Asp-Ser
Ala-Asp-Ser
ME285152
-
-
15.55091411
-
2-Aminoacrylate
2-Aminoacrylic acid
ME285110
-
C02218
15.55263063
-
Asn-Asp
Asn-Asp
ME285170
-
-
15.56326313
-
3-Deoxy-D-manno-octulosonate 8-phosphate
-
ME285124
-
C04478
15.60364494
-
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate
-
ME285141
-
C04584
15.60828168
-
D-Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME285217
-
C00352
15.63062724
-
Ala-Asp
Ala-Asp
ME285150
-
-
15.65554391
-
[FA (5:2)] 2,4-pentadienoic acid
beta-Vinyl acrylic acid
ME285075
-
-
15.7240784
-
Ovothiol disulfide
-
ME285353
-
-
15.73929448
-
Vicine
Vicine
ME285458
-
C08437
15.86755528
-
Ethanolamine phosphate
Phosphoethanolamine
ME285230
-
C00346
15.87183877
-
sn-glycero-3-Phospho-1-inositol
sn-Glycero-3-phosphoinositol
ME285433
-
C01225
15.92561653
-
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME285241
-
C05695
16.00561798
-
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate
ME285224
-
C05382
16.00750002
-
Sucrose
Sucrose
ME285435
-
C00089
16.04305129
-
Dibenzo[1,4]dioxin-2,3-dione
-
ME285219
-
C03861
16.0529082
-
UDP
UDP
ME285455
-
C00015
16.05913605
-
L-Cystine
Cystine
ME285277
-
C00491
16.09083757
-
Lys-Asp-Gly
Lys-Asp-Gly
ME285292
-
-
16.09472114
-
2-S-Glutathionyl acetate
-
ME285115
-
C14862
16.15329505
-
octulose 8-phosphate
Octulose 8-phosphate
ME285347
-
-
16.17274085
-
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME285416
-
C00019
16.2334479
-
CMP
CMP
ME285198
-
C00055
16.23454914
-
Fructoselysine 6-phosphate
Fructoselysine 6-phosphate
ME285240
-
C16489
16.3111664
-
D-Glucosamine
Glucosamine
ME285216
-
C00329
16.33616206
-
Thr-Ala-Ala
Thr-Ala-Ala
ME285443
-
-
16.38695
-
N-Carbamoyl-L-aspartate
Carbamoylaspartate
ME285335
-
C00438
16.39829942
-
Asp-Arg
Asp-Arg
ME285179
-
-
16.42124622
-
2,4-diamino-6-methyl-5,3'-(2-trifluoromethylphenox...
-
ME285105
-
-
16.46391113
-
D-Glucose 6-phosphate
Glucose 6-phosphate
ME285218
-
C00092
16.51339816
-
Lacto-N-tetraose
Lacto-N-tetraose
ME285273
-
C06371
16.51611901
-
Fenothiocarb
Fenothiocarb
ME285239
-
C11084
16.54906418
-
Glu-Glu
Glu-Glu
ME285249
-
C01425
16.55490941
-
Lys-Gly
Lys-Gly
ME285293
-
-
16.57454327
-
Nicotinate D-ribonucleoside
D-Ribosylnicotinate
ME285342
-
C05841
16.59133065
-
Glu-Glu-Pro
Glu-Glu-Pro
ME285250
-
-
16.63024292
-
N-(L-Arginino)succinate
Argininosuccinic acid
ME285319
-
C03406
16.66673662
-
Neuraminic acid
Neuraminic acid
ME285339
-
C06469
16.7444668
-
S-glutathionyl-L-cysteine
S-Glutathionyl-cysteine
ME285418
-
C05526
16.83506339
-
Arg-Asp-Asp-Gly
-
ME285167
-
-
16.96354814
-
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME285322
-
C04020
17.037993
-
Ala-Asp-Cys-Ser
-
ME285151
-
-
17.1220869
-
Cathasterone
Cathasterone
ME285189
-
C15790
17.30297239
-
1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosa...
-
ME285099
-
C04923
17.37363026
-
2-chloro-3-methyl-maleylacetate
-
ME285112
-
-
17.64962851
-
Asp-Gly-Arg
Asp-Gly-Arg
ME285181
-
-
17.66959627
-
GDP
GDP
ME285244
-
C00035
17.67288387
-
Citrate
Citric acid
ME285197
-
C00158
17.73439889
-
Ala-Ala-Ala-Ser
-
ME285148
-
-
17.78479578
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME285324
-
C03955
17.79798846
-
Asn-Thr-Asn-Asn
-
ME285177
-
-
17.80954567
-
GDP-mannose
GDP-mannose
ME285246
-
C00096
17.87360678
-
Convicine
Convicine
ME285199
-
C08430
17.92315489
-
Lys-Asp
Lys-Asp
ME285291
-
-
18.01901291
-
N-Acetylputrescine
N-Acetylputrescine
ME285332
-
C02714
18.21584204
-
D-Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME285211
-
C00354
18.7131462
-
Thiamin
Thiamine
ME285441
-
C00378
19.69107751
-
PE(30:0)
PE 30:0
ME285374
-
-
20.50866019
-
psicoselysine
Psicosyllysine
ME285411
-
-
20.75561526
-
Thr-Gly
Thr-Gly
ME285446
-
-
21.69287851
-
[SP] Pramanicin
Pramanicin
ME285090
-
-
22.3919828
-
2-Aminophenol
2-Aminophenol
ME285111
-
C01987
27.84683339
-
Asn-Val-Gly-Ser
-
ME285178
-
-
27.85406671
-
2-trans,4-cis-Decadienoylcarnitine
-
ME285116
-
-
27.85929141
-
3-(4-Hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME285117
-
C03672
27.85997635
-
Ala-Lys-Asp-Gly
-
ME285159
-
-
27.86080007
-
Ala-Leu-Asn-Ser
-
ME285155
-
-
27.86657744
-
Ala-Leu-Gln-Ser
-
ME285156
-
-
27.87344303
-
Betaine aldehyde
Betaine aldehyde
ME285186
-
C00576
27.9724366
-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME285072
-
C04875
28.10781182
-
[FA hydroxy(18:0)] 9,10,12,13-tetrahydroxy-octadec...
Sativic acid
ME285076
-
-
28.16542801
-
FA (12:1) dodecenoic acid
Dodecenoic acid
ME285232
-
-
28.18410214
-
Lycoflexine
Lycoflexine
ME285290
-
C09879
28.19013442
-
4-Oxocyclohexanecarboxylate
-
ME285132
-
C03767
28.19140323
-
Suberic acid
Suberic acid
ME285434
-
C08278
28.19158932
-
[PR] (-)-alpha-Bisabolol
alpha-Bisabolol
ME285083
-
C09621
28.21721071
-
cis-1,2-Dihydronaphthalene-1,2-diol
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
ME285196
-
C04314
28.23286454
-
2-Ethylhexyl phthalate
Monoethylhexyl phthalic acid
ME285113
-
C03343
28.23343015
-
FA (12:2)
Dodecadienoic acid
ME285233
-
-
28.23385054
-
epsilon-Caprolactam
Epsilon-caprolactam
ME285229
-
C06593
28.24107199
-
3-Butylidene-7-hydroxyphthalide
Phthalide
ME285123
-
C09921
28.24228064
-
Dehydrophytosphingosine
Dehydrophytosphingosine
ME285209
-
-
28.25783555
-
Hydroxypropionylcarnitine
CAR 3:0;OH
ME285266
-
-
28.27613334
-
Myxalamid D
-
ME285318
-
C12161
28.28226779
-
N-Methylpelletierine
Methylisopelletierine
ME285343
-
C06184
28.33753968
-
tropine
Pseudotropine
ME285451
-
C00729
28.37541398
-
Montanin A
Montanin A
ME285316
-
C09136
28.37550112
-
1-(O-alpha-D-glucopyranosyl)-3-keto-(25R,27R)-octa...
-
ME285097
-
-
28.37563759
-
Asn-Gly-Tyr-Tyr
-
ME285172
-
-
28.39400863
-
[PC(19:2)] 1-(1Z,12Z-nonadecadienyl)-sn-glycero-3-...
-
ME285082
-
-
28.40145484
-
Arg-Glu-Ile-Val
-
ME285168
-
-
28.40352051
-
Luciduline
Luciduline
ME285288
-
C09872
28.41605373
-
LysoPE(24:1)
LPE 24:1
ME285304
-
-
28.43443655
-
[ST Trihydroxy,ox] 3alpha,7beta,12alpha-Trihydroxy...
-
ME285093
-
-
28.48290542
-
(-)-Hygroline
Hygroline
ME285071
-
C10152
28.51320861
-
decanamide
Decanamide
ME285207
-
-
28.57515381
-
Dodecanamide
Dodecanamide
ME285223
-
C13831
28.61011937
-
Phenethylamine
Phenylethylamine
ME285399
-
C05332
28.72462257
-
PS(34:0)
PS 34:0
ME285403
-
-
3.733428964
-
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...
-
ME285096
-
-
3.746883679
-
PS(39:4)
PS 39:4
ME285409
-
-
3.74848873
-
PS(40:8)
PS 40:8
ME285410
-
-
3.750316783
-
PS(38:6)
PS 38:6
ME285408
-
-
3.768200821
-
PE(32:0)
PE 32:0
ME285375
-
-
3.775338382
-
PS(36:4)
PS 36:4
ME285407
-
-
3.77551995
-
PE(32:1)
PE 32:1
ME285376
-
-
3.775706817
-
PS(36:3)
PS 36:3
ME285406
-
-
3.776896359
-
PS(34:1)
PS 34:1
ME285404
-
-
3.781944363
-
PS(34:2)
PS 34:2
ME285405
-
-
3.795662248
-
Myricoside
Myricoside
ME285317
-
C10479
3.85503151
-
Cys-Met-Cys-Tyr
-
ME285203
-
-
3.875294408
-
1-4-beta-D-Glucan
1,4-beta-D-Glucan
ME285101
-
C00760
3.878137092
-
DG(34:1)
DG 34:1
ME285212
-
-
3.881753853
-
Asn-Glu-Glu-Ser
-
ME285171
-
-
3.912186099
-
PE(40:6)
PE 40:6
ME285390
-
-
3.946930985
-
PE(40:5)
PE 40:5
ME285389
-
-
3.983770419
-
PE(36:5)
PE 36:5
ME285383
-
-
4.002137214
-
PC(40:7)
PC 40:7
ME285367
-
-
4.026769479
-
PC(P-40:5)
PC P-40:5
ME285373
-
-
4.028214269
-
PE(P-34:1)
PE P-34:1
ME285392
-
C00350
4.049193539
-
(24R,24'R)-Fucosterol epoxide
(3beta,24R,24'R)-Fucosterol epoxide
ME285074
-
C03910
4.086756691
-
PC(32:2)
PC 32:2
ME285359
-
-
4.108829558
-
PC(P-38:3)
PC P-38:3
ME285372
-
-
4.116582629
-
PC(P-34:0)
PC P-34:0
ME285369
-
-
4.120654694
-
PC(P-36:1)
PC P-36:1
ME285370
-
-
4.121090277
-
PC(30:0)
PC 30:0
ME285356
-
-
4.154181105
-
PC(O-32:0)
PC O-32:0
ME285368
-
-
4.155819738
-
Tributyl phosphate
Tributyl phosphate
ME285449
-
C14439
4.185013653
-
13-14-DihydroPGF-1a
-
ME285100
-
-
4.199466431
-
FA (16:2)
Hexadecadienoic acid
ME285237
-
-
4.222310098
-
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
-
ME285120
-
-
4.231579198
-
FA hydroxy(18:1)]
-
ME285238
-
-
4.231608273
-
Cumene
Isopropylbenzene
ME285201
-
C14396
4.232867346
-
(1R,4S)-fenchan-2-one
-
ME285073
-
-
4.259011579
-
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydrox...
-
ME285089
-
-
4.293050976
-
SM(d35:1)
SM 35:1;O2
ME285425
-
-
4.344380154
-
Melicopicine
Melicopicine
ME285310
-
C10722
4.350819947
-
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2'Z-penteny...
-
ME285077
-
C04780
4.392085587
-
Docosa-4-7-10-13-16-pentaenoylcarnitine
CAR 22:5
ME285222
-
-
4.510786687
-
LysoPC(20:0)
LPC 20:0
ME285295
-
C04230
4.542624422
-
LysoPE(22:6)
LPE 22:6
ME285303
-
-
4.548418639
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME285333
-
-
4.566697659
-
N-stearoyl tyrosine
N-Stearoyl tyrosine
ME285344
-
-
4.56713026
-
PC(P-36:4)
PC P-36:4
ME285371
-
-
4.570678052
-
PC(38:3)
PC 38:3
ME285363
-
-
4.573937204
-
SM(d17:1/24:1(15Z))
SM 17:1;O2/24:1(15Z)
ME285420
-
-
4.581256114
-
LysoPE(20:4)
LPE 20:4
ME285302
-
-
4.603681307
-
Tyr-Tyr
Tyr-Tyr
ME285454
-
-
4.604017793
-
Heptadecanoylcarnitine
CAR 17:0
ME285260
-
-
4.637691781
-
FA (14:2) tetradecadienal
-
ME285236
-
-
4.637932055
-
LysoPE(18:1)
LPE 18:1
ME285299
-
-
4.649705398
-
PC(18:2)
PC 18:2
ME285355
-
-
4.666302153
-
LysoPE(18:2)
LPE 18:2
ME285300
-
-
4.667134678
-
DG(36:1)
DG 36:1
ME285213
-
C00165
4.669867407
-
1-(11Z-octadecenyl)-sn-glycero-3-phosphocholine
-
ME285095
-
-
4.671066757
-
[SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-...
SM 18:1;O2/26:1
ME285088
-
-
4.681493129
-
LysoPC(O-16:1)
LPC O-16:1
ME285296
-
-
4.684611681
-
SM(d43:2)
SM 43:2;O2
ME285431
-
-
4.684709373
-
LysoPC(O-18:2)
LPC O-18:2
ME285297
-
C04317
4.685752475
-
LysoPE(20:0)
LPE 20:0
ME285301
-
-
4.687229608
-
trans-Hexadec-2-enoylcarnitine
CAR 16:1(2E)
ME285448
-
-
4.692472832
-
[PC(18:3)]
-
ME285081
-
-
4.712545024
-
LysoPE(18:0)
LPE 18:0
ME285298
-
-
4.731864431
-
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...
LPC O-16:0
ME285080
-
C13903
4.735890771
-
5-Nitro-2-(3-phenylpropylamino)benzoic acid
NPPB
ME285137
-
C13705
4.745073648
-
PE(38:1)
PE 38:1
ME285384
-
-
4.752146969
-
PE(34:2)
PE 34:2
ME285377
-
-
4.756296729
-
Chrysoidine free base
-
ME285194
-
C14617
4.758208917
-
N-D-Glucosylarylamine
N-D-Glucosylarylamine
ME285337
-
C03142
4.761300358
-
Ala-Leu-Trp-Ser
-
ME285157
-
-
4.7653941
-
Ala-Phe-Arg-His
-
ME285162
-
-
4.767400654
-
Isovalerylglutamicacid
-
ME285272
-
-
4.774733746
-
PE(38:2)
PE 38:2
ME285386
-
-
4.775567964
-
Elaeokanine C
Elaeokanine C
ME285226
-
C10592
4.787395179
-
SM(d44:1)
SM 44:1;O2
ME285432
-
C00550
4.817821564
-
FA (13:2) tridecadienoic acid
Tridecadienoic acid
ME285234
-
-
4.822308474
-
6Z,9Z-Eicosadien-11-ol
6Z,9Z-Eicosadien-11-ol
ME285143
-
-
4.83777559
-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine
Cer 18:1;O2/16:0
ME285087
-
C00195
4.841453893
-
PE(P-40:6)
PE P-40:6
ME285396
-
-
4.847506803
-
PC(32:1)
PC 32:1
ME285358
-
C00157
4.875690267
-
[SP] Sphing-4-enine
Sphingosine
ME285091
-
C00319
4.887708808
-
PE(P-40:4)
PE P-40:4
ME285395
-
-
4.894895104
-
Ammodendrine
Ammodendrine
ME285164
-
C10125
4.897927525
-
3,7,11,15-Tetramethyl-6,10,14-hexadecatrien-1-ol
-
ME285121
-
-
4.914059376
-
L-Tyrosine methyl ester
Methyl tyrosinate
ME285287
-
C03404
4.923959538
-
Cer(d40:1)
Cer 40:1;O2
ME285190
-
-
4.950523734
-
3,4-Dihydroxy-L-phenylalanine
DOPA
ME285119
-
C00355
4.983171966
-
DG(36:2)
DG 36:2
ME285214
-
C00165
4.991277587
-
PE(P-36:4)
PE P-36:4
ME285393
-
C00350
5.010261967
-
L-Phenylalanine
Phenylalanine
ME285285
-
C00079
5.012787101
-
Cholesta-5,7-dien-3beta-ol
7-Dehydrocholesterol
ME285193
-
C01164
5.064383823
-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
3-Deoxyvitamin D3
ME285094
-
-
5.138406107
-
PE(36:1)
PE 36:1
ME285378
-
-
5.232322761
-
Phencyclidine
Phencyclidine
ME285398
-
C07575
5.233286662
-
PE(P-38:5)
PE P-38:5
ME285394
-
C00350
5.250775372
-
PC(38:4)
PC 38:4
ME285364
-
-
5.311894502
-
9-oxo-11R,15S-dihydroxy-16,16-dimethyl-13E-prostae...
-
ME285145
-
-
5.375687929
-
PC(38:6)
PC 38:6
ME285366
-
-
5.409794147
-
PE(36:2)
PE 36:2
ME285380
-
C00350
5.458790151
-
SM(d32:1)
SM 32:1;O2
ME285421
-
-
5.544046327
-
PC(35:1)
PC 35:1
ME285385
-
-
5.619722877
-
SM(d34:2)
SM 34:2;O2
ME285424
-
-
5.623039418
-
SM(d42:3)
SM 42:3;O2
ME285430
-
-
5.664620298
-
TG(50:1)
TG 50:1
ME285438
-
-
5.725525079
-
PE(38:4)
PE 38:4
ME285387
-
C00350
5.759816892
-
PC(33:3)
PC 33:3
ME285381
-
-
5.867108677
-
PE(38:5)
PE 38:5
ME285388
-
-
5.911391187
-
O-Palmitoyl-R-carnitine
CAR 16:0
ME285349
-
C02990
5.912475593
-
TG(52:2)
TG 52:2
ME285439
-
-
6.053217754
-
PC(36:3)
PC 36:3
ME285362
-
-
6.058970427
-
PE(41:4)
PE 41:4
ME285365
-
-
6.063390941
-
PC(33:1)
PC 33:1
ME285379
-
C00157
6.110939914
-
PE(36:4)
PE 36:4
ME285382
-
-
6.148475815
-
Valeroidine
Valeroidine
ME285457
-
C10869
6.160689674
-
TG(54:3)
TG 54:3
ME285440
-
-
6.193289444
-
PC(32:0)
PC 32:0
ME285357
-
-
6.269043083
-
PC(36:2)
PC 36:2
ME285361
-
-
6.325047678
-
Octylamine
Octylamine
ME285348
-
C01740
6.438333891
-
SM(d34:1)
SM 34:1;O2
ME285423
-
-
6.483460468
-
PE(O-38:5)
PE O-38:5
ME285391
-
C00350
6.748509274
-
PC(36:1)
PC 36:1
ME285360
-
-
6.879081791
-
4-Amino-5-hydroxymethyl-2-methylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME285127
-
C01279
7.632237103
-
Tetrahydropteridine
Tetrahydropteridine
ME285437
-
C05650
7.671941888
-
Deoxycytosine
Deoxycytosine
ME285210
-
C02026
7.72091722
-
SM(d40:2)
SM 40:2;O2
ME285429
-
-
7.728269149
-
Imidazole-4-methanol
Imidazole-4-methanol
ME285269
-
C05562
7.734670108
-
SM(d38:1)
SM 38:1;O2
ME285428
-
C00550
7.757128287
-
SM(d36:2)
SM 36:2;O2
ME285427
-
-
7.784099149
-
SM(d36:1)
SM 36:1;O2
ME285426
-
C00550
7.796029917
-
O-9Z,12Z-Hexadecadienoyl-R-carnitine
-
ME285345
-
-
7.817120043
-
[SP (14:0)] 1-deoxy-tetradecasphinganine
Xestoaminol C
ME285085
-
-
7.817877647
-
SM(d33:1)
SM 33:1;O2
ME285422
-
-
7.822454587
-
LysoPC(18:1)
LPC 18:1
ME285294
-
-
7.831650685
-
Longifolonine
Longifolonine
ME285284
-
C09569
7.832085924
-
Asn-Leu-Gly-Ser
-
ME285173
-
-
7.834341513
-
Arg-Lys-Val-Ser
-
ME285169
-
-
7.837739803
-
Ala-Lys-Ala-Arg
-
ME285158
-
-
7.837979684
-
Ala-Ala-Gln-Ser
-
ME285149
-
-
7.83897227
-
4-Heptyloxyphenol
4-Heptyloxyphenol
ME285130
-
C14236
7.848887654
-
6Z-Tetradecene
6Z-Tetradecene
ME285144
-
-
7.854825652
-
Nicotinamide
Niacinamide
ME285340
-
C00153
7.85516544
-
[SP] Sphinganine-1-phosphate
Sphinganine 1-phosphate
ME285092
-
C01120
7.859941624
-
Trihexosylceramide (d18:1/24:1(15Z))
-
ME285450
-
C04737
7.877228579
-
Ganglioside GA1 (d18:1/24:1(15Z))
-
ME285243
-
C06136
7.93178334
-
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one
1,2-Dihydroxy-3-keto-5-methylthiopentene
ME285098
-
C15606
7.965275811
-
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME285114
-
-
8.196922913
-
Pyridoxal
Pyridoxal
ME285412
-
C00250
8.222326243
-
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME285242
-
C00669
8.369983211
-
Pantothenate
Pantothenic acid
ME285354
-
C00864
8.630025907
-
Indoleacrylicacid
Indoleacrylic acid
ME285270
-
-
8.774776799
-
O-Butanoylcarnitine
CAR 4:0
ME285346
-
C02862
8.94556742
-
CHAPS
CHAPS
ME285192
-
C11321
9.166676892
-
CAPS
-
ME285188
-
-
9.173562701
-
Adenosine
Adenosine
ME285147
-
C00212
9.17930775
-
Trp-Cys-Gly
Trp-Cys-Gly
ME285452
-
-
9.248114931
-
Hydroxyhexanoycarnitine
CAR 6:0;OH
ME285265
-
-
9.249456966
-
Adenine
Adenine
ME285146
-
C00147
9.661480957
-
Creatinine
Creatinine
ME285200
-
C00791
9.805680654
-
Analysis: pHILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
5'-Dehydroadenosine
5'-Dehydroadenosine
ME285506
-
C11500
10.16351127
-
D-Erythrose
Erythrose
ME285558
-
C01796
10.39764129
-
Psychotrine
Psychotrine
ME285702
-
C09612
10.45055434
-
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME285646
-
C15480
10.81450596
-
L-2-Aminoadipate
alpha-Aminoadipic acid
ME285624
-
C00956
11.15496769
-
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME285486
-
C04521
11.8210075
-
Uracil
Uracil
ME285724
-
C00106
11.83653015
-
Phthalate
Phthalic acid
ME285688
-
C01606
12.14488919
-
Urate
Uric acid
ME285725
-
C00366
12.19332125
-
3-deoxy-D-galactose
3-Deoxygalactose
ME285493
-
-
12.24319286
-
Ala-Ser
Ala-Ser
ME285522
-
-
12.24345585
-
Arg-Lys-Asp-Asp
-
ME285530
-
-
12.29869541
-
P-DPD
-
ME285674
-
-
12.33097847
-
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose
Neohesperidose
ME285489
-
C08244
12.4286693
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME285611
-
C03274
12.4556472
-
N-Dimethyl-2-aminoethylphosphonate
2-Dimethylaminoethylphosphonic acid
ME285651
-
C05680
12.52441231
-
Albendazole sulfone
-
ME285523
-
C16626
12.53371464
-
D-Erythrose 4-phosphate
Erythrose 4-phosphate
ME285559
-
C00279
12.56349669
-
tetcyclacis
-
ME285715
-
-
12.68160302
-
D-Arabinonate
Arabinonic acid
ME285555
-
C00878
12.71170327
-
S-Methyl-5-thio-D-ribose 1-phosphate
5-Methylthioribose 1-phosphate
ME285710
-
C04188
12.71618176
-
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME285603
-
C04544
12.75212102
-
Leu-Ala
Leu-Ala
ME285629
-
-
12.75750343
-
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME285627
-
C00441
12.80549182
-
1-O-Methyl-myo-inositol
-
ME285482
-
C03659
12.84448197
-
Sanguinarine
Sanguinarine
ME285709
-
C06162
12.86769674
-
4-Amino-4-deoxychorismate
4-Amino-4-deoxychorismic acid
ME285499
-
C11355
12.88416845
-
2-Oxobutanoate
3-Methyl pyruvic acid
ME285490
-
C00109
13.25854503
-
Acetylcholine
Acetylcholine
ME285516
-
C01996
13.31985187
-
N-Ethylglycocyamine
N-Ethylglycocyamine
ME285652
-
C02852
13.32705594
-
Methacholine
Methacholine
ME285643
-
C07471
13.328552
-
Rugosinone
Rugosinone
ME285708
-
C09634
13.32914859
-
Ovothiol B
-
ME285664
-
-
13.40699484
-
Xylobiose
Xylobiose
ME285727
-
C01630
13.73694098
-
N-Acetyllactosamine
N-Acetyllactosamine
ME285648
-
C00611
13.7389275
-
Epibatidine
Epibatidine
ME285576
-
C11690
13.87465274
-
Diclobutrazol
Diclobutrazol
ME285563
-
C11235
13.9069855
-
Glu-Asp
Glu-Asp
ME285608
-
-
13.94945379
-
LL-2,6-Diaminoheptanedioate
2,6-Diaminopimelic acid
ME285633
-
C00666
14.11821985
-
(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)pro...
Mimosine
ME285462
-
C04771
14.14860011
-
(S)-AMPA
Ampa
ME285463
-
C13672
14.15295569
-
Cys-Gly
Cys-Gly
ME285552
-
C01419
14.16436072
-
D-Glucose
Glucose
ME285561
-
C00221
14.19113156
-
(S)-2-Aceto-2-hydroxybutanoate
Acetohydroxybutyric acid
ME285460
-
C06006
14.21450542
-
D-Ribose
Ribose
ME285572
-
C00121
14.23878607
-
D-Glucuronate
Glucuronic acid
ME285562
-
C00191
14.34104424
-
Asp-Trp-Gly-Gly
-
ME285535
-
-
14.34121129
-
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME285618
-
C06455
14.34534166
-
Muramic acid
Muramic acid
ME285645
-
C06470
14.37765615
-
Angustine
Angustine
ME285527
-
C09032
14.41636905
-
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME285711
-
C00670
14.42118584
-
Choline phosphate
Choline phosphate
ME285548
-
C00588
14.44324324
-
Arg-Trp-Asp-Cys
-
ME285531
-
-
14.53621477
-
L-methioninamide
-
ME285635
-
-
14.55149808
-
Ala-Phe-Tyr-Tyr
-
ME285521
-
-
14.58111328
-
Glu-Thr
Glu-Thr
ME285610
-
-
14.60072887
-
Ala-Cys-Pro-Ser
-
ME285520
-
-
14.64367416
-
Durlettone
Durlettone
ME285575
-
-
14.67082167
-
N-Acetyl-D-glucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME285647
-
C00357
14.6777451
-
Deoxycytidine
Deoxycytidine
ME285557
-
C00881
14.68017052
-
Thiourocanic acid
Thiourocanic acid
ME285719
-
C05571
14.73526853
-
Pyruvate
Pyruvic acid
ME285704
-
C00022
14.74171787
-
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME285728
-
C00093
14.76845153
-
Cys-Gly-Pro-Ser
-
ME285553
-
-
14.77251787
-
Glu-Ser-Thr
Glu-Ser-Thr
ME285609
-
-
14.78870683
-
Spongipregnoloside A
Spongipregnoloside A
ME285713
-
-
14.80556637
-
Imidazole-4-acetaldehyde
Imidazole-4-acetaldehyde
ME285622
-
C05130
14.83497763
-
AMP
AMP
ME285525
-
C00020
14.84518255
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME285685
-
C13482
14.85195791
-
(S)-2-Acetolactate
(S)-2-Acetolactate
ME285461
-
C06010
14.89437123
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME285687
-
C03167
14.94625797
-
Dihydrogenphosphate
-
ME285566
-
-
14.95398136
-
Homogentisate
Homogentisic acid
ME285615
-
C00544
14.96832532
-
[ST hydroxy(3:0)] 3-hydroxy-estra-1,3,5(10)-trien-...
Estrone 3-glucuronide
ME285480
-
C11133
14.97211878
-
Bergaptol
Bergaptol
ME285540
-
C00758
14.98361874
-
Digitalin
Digitalin
ME285565
-
C08862
15.00081832
-
UMP
UMP
ME285723
-
C00105
15.0218725
-
melibionate
-
ME285641
-
-
15.04917223
-
Nicotinate D-ribonucleotide
Nicotinic acid mononucleotide
ME285654
-
C01185
15.16655867
-
2-Oxoglutarate
2-Oxoglutaric acid
ME285491
-
C00026
15.22543783
-
L-Fuculose 1-phosphate
L-Fuculose 1-phosphate
ME285631
-
C01099
15.22648278
-
Hydantoin-5-propionate
Hydantoin-5-propionic acid
ME285617
-
C05565
15.23736443
-
CDP-choline
CDP-choline
ME285543
-
C00307
15.25853044
-
9,10-dibromo-stearic acid
9,10-Dibromo-stearic acid
ME285512
-
-
15.37848858
-
Acetyl phosphate
Acetylphosphate
ME285515
-
C00227
15.39252004
-
Asp-Ser
Asp-Ser
ME285534
-
-
15.44931537
-
Thr-Thr-Asp
Thr-Thr-Asp
ME285720
-
-
15.70889497
-
dGDP
dGDP
ME285560
-
C00361
16.02915098
-
dimethylthiophosphate
Dimethylthiophosphate
ME285567
-
-
16.04314491
-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...
Threonic acid
ME285470
-
C01620
16.06617675
-
L-Aspartate
Aspartic acid
ME285626
-
C00049
16.14388079
-
CDP-ethanolamine
CDP-Ethanolamine
ME285544
-
C00570
16.19695184
-
O-Phospho-L-serine
Phosphoserine
ME285662
-
C01005
16.21535856
-
Asp-Gly
Asp-Gly
ME285533
-
-
16.32009637
-
IDP
IDP
ME285620
-
C00104
16.3795372
-
Gln-Leu-Lys-Tyr
-
ME285605
-
-
16.53049984
-
NADP+
NADP
ME285649
-
C00006
16.53341279
-
nonulose 9-phosphate
Nonulose 9-phosphate
ME285657
-
-
16.63512838
-
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME285569
-
C04299
16.76189955
-
a Cysteine adduct
-
ME285514
-
-
16.94157743
-
Asp-Asp
Asp-Asp
ME285532
-
-
17.09965737
-
(R,R)-Tartaric acid
Tartaric acid
ME285459
-
C00898
17.11552478
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME285686
-
C00074
17.19182162
-
GDP-L-fucose
GDP-L-fucose
ME285604
-
C00325
17.24858685
-
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME285510
-
C00345
17.31867134
-
D-Ribose 1,5-bisphosphate
Ribose 1,5-bisphosphate
ME285573
-
C01151
17.35032187
-
Oxalate
Oxalic acid
ME285665
-
C00209
17.41906029
-
cis-Aconitate
cis-Aconitic acid
ME285549
-
C00417
17.42201723
-
L-Ascorbate 6-phosphate
-
ME285625
-
C16186
17.52570861
-
Sulfate
Sulfate
ME285714
-
C00059
17.56924228
-
Hordatine A
Hordatine A
ME285616
-
C08307
17.5787188
-
3-Phospho-D-glyceroyl phosphate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME285498
-
C00236
17.80024333
-
D-Sedoheptulose 1,7-bisphosphate
Sedoheptulose 1,7-bisphosphate
ME285574
-
C00447
17.9124304
-
Orthophosphate
Phosphoric acid
ME285663
-
C00009
18.0440623
-
UDP-glucuronate
UDP-glucuronic acid
ME285722
-
C00167
18.56614691
-
parabanate
Parabanic acid
ME285672
-
-
19.20640054
-
beta-Citryl-L-glutamic acid
Beta-Citryl-glutamic acid
ME285541
-
-
19.45588734
-
Thiodiacetic acid
Thiodiacetic acid
ME285718
-
C14872
20.77778429
-
Lathodoratin
Lathodoratin
ME285628
-
C09012
21.69342717
-
L-Lysine
Lysine
ME285634
-
C00047
22.42091899
-
iodoacetate
-
ME285623
-
-
27.14589471
-
Benzoate
Benzoic acid
ME285539
-
C00180
27.84982417
-
Rishitin
Rishitin
ME285707
-
C09715
27.86276382
-
Phytuberin
Phytuberin
ME285689
-
C09709
27.86315444
-
Ala-Ala-Asp-Pro
-
ME285517
-
-
27.86785383
-
Asp-Val-Gly-Pro
-
ME285536
-
-
27.87426182
-
3-Methylbutanol
Isopentanol
ME285495
-
C07328
27.8856073
-
3-Amino-2-piperidone
3-Amino-2-piperidone
ME285492
-
-
27.90362979
-
3-N4-ethenocytosine
-
ME285496
-
-
28.09084964
-
Leu-Val-Gly
Leu-Val-Gly
ME285630
-
-
28.33023823
-
[FA (11:0)] undecanoic acid
Undecylic acid
ME285464
-
-
28.37103998
-
chelidamate
-
ME285545
-
-
28.44820353
-
FA (17:0)
Margaric acid
ME285578
-
-
28.45611353
-
Metazocine
Metazocine
ME285642
-
C11789
28.47826898
-
FA (14:1) tetradecenoic acid
Tetradecenoic acid
ME285577
-
-
28.48124241
-
Dinoseb
2-(1-Methylpropyl)-4,6-dinitrophenol
ME285568
-
C14302
28.48607661
-
FA methyl(16:1)
-
ME285593
-
-
28.49150202
-
Bendiocarb
Bendiocarb
ME285538
-
C14433
28.51559196
-
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...
-
ME285469
-
-
28.52282002
-
FA hydroxy(16:0)] hexadecanoic acid
-
ME285584
-
-
28.52483939
-
FA methyl(12:0) dodecanoic acid
Lauric acid
ME285590
-
-
28.52675055
-
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-2...
Chenodeoxycholic acid
ME285479
-
C02528
28.52856848
-
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME285502
-
C00642
28.71629249
-
Barbiturate
Barbituric acid
ME285537
-
C00813
29.7424299
-
[PR] 1'-Hydroxy-4-keto-gamma-carotene glucoside/ 1...
-
ME285473
-
-
3.665250843
-
Cholesterolsulfate
Cholesterol sulfate
ME285547
-
-
3.738909765
-
PS(40:4)
PS 40:4
ME285696
-
-
3.756573823
-
PA(36:4)
PA 36:4
ME285671
-
-
3.763566537
-
PA(36:2)
PA 36:2
ME285669
-
C00416
3.76753638
-
PA(36:1)
PA 36:1
ME285668
-
-
3.771887318
-
PA(36:3)
PA 36:3
ME285670
-
-
3.774627342
-
PG(36:2)
PG 36:2
ME285683
-
-
3.776523821
-
tetrahydrogeranylgeranyl-bacteriopheophytin
-
ME285717
-
-
3.777156219
-
PI(36:4)
PI 36:4
ME285692
-
-
3.786093541
-
PA(34:1)
PA 34:1
ME285666
-
-
3.786715147
-
PA(34:2)
PA 34:2
ME285667
-
-
3.7899277
-
PI(36:2)
PI 36:2
ME285691
-
-
3.791015842
-
PI(36:1)
PI 36:1
ME285690
-
-
3.799041204
-
PG(34:1)
PG 34:1
ME285681
-
-
3.804304463
-
sodium dodecyl sulfate
Blasticidin S
ME285712
-
-
3.807492956
-
PG(36:1)
PG 36:1
ME285682
-
-
3.818487321
-
FA (20:0)
Arachidic acid
ME285579
-
C06425
3.876478023
-
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...
DPA
ME285467
-
C16513
3.886035443
-
FA methyl(18:0)
-
ME285594
-
-
3.897683336
-
Octadecanoic acid
Stearic acid
ME285660
-
C01530
3.915420244
-
PE(P-40:7)
PE P-40:7
ME285679
-
-
3.927060099
-
PE(P-40:5)
PE P-40:5
ME285678
-
-
3.930350827
-
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...
-
ME285471
-
-
3.930788024
-
Linoleate
Linoleic acid
ME285632
-
C01595
3.93838691
-
FA (20:4)
Arachidonic acid
ME285580
-
C00219
3.949766247
-
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid
alpha-Linolenic acid
ME285466
-
C06427
3.951968916
-
Hexadecanoic acid
Palmitic acid
ME285612
-
C00249
3.963151738
-
PE(38:6)
PE 38:6
ME285677
-
-
3.969928408
-
FA oxo(18:0)
-
ME285598
-
-
3.972573824
-
FA(16:1)
Hexadecenoic acid
ME285601
-
C08362
3.974076583
-
FA methyl(14:0)
-
ME285591
-
C16665
3.998289171
-
Tetradecanoic acid
Myristic acid
ME285716
-
C06424
4.018026994
-
FA hydroxy(18:0)
-
ME285585
-
-
4.025036506
-
FA oxo(16:0)
-
ME285597
-
-
4.040787119
-
[PR] Abietic acid
Abietic acid
ME285475
-
C06087
4.072824644
-
Quinalphos
Quinalphos
ME285705
-
C11030
4.078832112
-
PS(O-16:0/22:1(11Z))
PS O-16:0/22:1(11Z)
ME285697
-
-
4.114834274
-
Dodecanoic acid
Lauric acid
ME285570
-
C02679
4.116738648
-
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine
Cer 18:1;O2/24:1
ME285477
-
C00195
4.117318188
-
L-Tryptophan
Tryptophan
ME285636
-
C00078
4.150042742
-
FA methyl(15:0) tridecanedioic acid
Tridecanedioic acid
ME285592
-
-
4.215823615
-
3-Oxododecanoic acid
3-Oxododecanoic acid
ME285497
-
C02367
4.237457155
-
Decanoic acid
Capric acid
ME285556
-
C01571
4.270048226
-
FA (8:1) octenal
-
ME285582
-
-
4.277987108
-
PS(18:0)
PS 18:0
ME285694
-
-
4.289209803
-
alpha-Irone
alpha-Irone
ME285524
-
C09690
4.360921985
-
FA methyl(8:0)
-
ME285596
-
-
4.373247136
-
Margaroyl-EA
Margaroyl-EA
ME285640
-
-
4.395871615
-
Dicyclohexylamine
N,N-Dicyclohexylamine
ME285564
-
C14686
4.526819203
-
FA (8:0) octanoic acid
Caprylic acid
ME285581
-
C06423
4.53503271
-
PS(O-36:2)
PS O-36:2
ME285700
-
-
4.575804822
-
Psychosine
Psychosine
ME285701
-
C01747
4.680211382
-
N-Undecanoylglycine
N-Undecanoylglycine
ME285658
-
-
4.681751223
-
FA methyl(6:0)
-
ME285595
-
-
4.706141095
-
LysoPE(16:0)
LPE 16:0
ME285639
-
-
4.722718696
-
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME285513
-
C16322
4.73714203
-
Hexanoic acid
Caproic acid
ME285613
-
C01585
4.750791011
-
[FA (7:0/2:0)] Heptanedioic acid
Pimelic acid
ME285468
-
C02656
4.753858711
-
FA oxo(8:0) oxo-octanoic acid
-
ME285600
-
-
4.754972608
-
Cholate
Cholic acid
ME285546
-
C00695
4.759437801
-
O-Acetylcarnitine
CAR 2:0
ME285659
-
C02571
4.761566438
-
Dopamine
Dopamine
ME285571
-
C03758
4.810876349
-
PE(36:3)
PE 36:3
ME285676
-
-
4.96957592
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME285684
-
C12600
4.985536273
-
4-Pyridoxolactone
4-Pyridoxolactone
ME285505
-
C00971
5.160860659
-
PC(17:0/14:1)
PC 17:0/14:1
ME285673
-
-
5.431859388
-
PS(O-36:1)
PS O-36:1
ME285699
-
-
5.469679815
-
Anthranilate
2-Aminobenzoic acid
ME285528
-
C00108
5.588489665
-
PS(38:4)
PS 38:4
ME285695
-
-
6.145738385
-
N-methylisocyanurate
-
ME285655
-
-
6.167292867
-
4-Hydroxy-3-nitrosobenzamide
4-Hydroxy-3-nitrosobenzamide
ME285500
-
C12114
7.314451652
-
Pyrazinamide
Pyrazinamide
ME285703
-
C01956
7.68251462
-
Apiole
Apiole
ME285529
-
C10429
7.731097128
-
Ile-Lys-Lys-Met
-
ME285621
-
-
7.821335778
-
N-Decanoylglycine
N-Decanoylglycine
ME285650
-
-
7.824818209
-
4-Hydroxybutanoic acid
4-Hydroxybutyric acid
ME285501
-
C00989
7.825278025
-
N-Nonanoylglycine
N-Nonanoylglycine
ME285656
-
-
7.826105413
-
Retronecine
Retronecine
ME285706
-
C06177
7.826637633
-
Ferulate
trans-Ferulic acid
ME285602
-
C01494
7.827735595
-
ancymidol
Ancymidol
ME285526
-
-
7.828727253
-
Glu-Ala-Ala-Pro
-
ME285606
-
-
7.828834974
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME285511
-
C01092
7.829716978
-
4-Hydroxyphenylacetylglycine
Hydroxyphenylacetylglycine
ME285503
-
C05596
7.830388627
-
Glu-Ala-Gly-Pro
-
ME285607
-
-
7.832966061
-
Lys-Lys-Trp-Pro
-
ME285638
-
-
7.834858512
-
6-Acetamido-2-oxohexanoate
2-Keto-6-acetamidocaproic acid
ME285509
-
C05548
7.835780793
-
Ala-Asp-Gly-Pro
-
ME285519
-
-
7.835899191
-
O-glucosyl-tomatidine
-
ME285661
-
-
7.83701288
-
PS(O-20:0/0:0)
PS O-20:0/0:0
ME285698
-
-
7.837577326
-
THTC
Tetrahydrothiophene-2-carboxylic acid
ME285721
-
C11074
7.837928849
-
FA hydroxy(10:0)
-
ME285583
-
-
7.840376279
-
FA hydroxy(6:0)
-
ME285586
-
-
7.841955426
-
PE(30:4)
PE 30:4
ME285675
-
-
7.843297881
-
FA hydroxy(9:0) hydroxy-nonanoic acid
-
ME285589
-
-
7.844434265
-
[PR trihydroxy(2:0)] (-)-8alpha,15-diacetoxy-4beta...
-
ME285472
-
-
7.845491374
-
FA hydroxy(8:0) hydroxy-octanoic acid
Hydroxyoctanoic acid
ME285588
-
-
7.845938341
-
2-Isopropylmaleate
Isopropylmaleate
ME285488
-
C02631
7.846300012
-
Pentanoate
Valeric acid
ME285680
-
C00803
7.846658603
-
2,3-Dihydro-2,3-dihydroxybenzoate
-
ME285485
-
C04171
7.847255016
-
FA hydroxy(7:0)
-
ME285587
-
-
7.847622612
-
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME285494
-
C00632
7.848410839
-
FA oxo(7:0)
-
ME285599
-
-
7.848956343
-
1,8-Diazacyclotetradecane-2,9-dione
1,8-Diazacyclotetradecane-2,9-dione
ME285481
-
C04277
7.849193347
-
5-Hydroxypentanoate
5-Hydroxyvaleric acid
ME285508
-
C02804
7.850641624
-
N-Formiminoglycine
N-Formimidoylglycine
ME285653
-
C02718
7.851483541
-
Butanoic acid
Butyric acid
ME285542
-
C00246
7.851613191
-
Urocanate
Urocanic acid
ME285726
-
C00785
7.851969941
-
2-isocapryloyl-3R-hydroxymethyl-gamma-butyrolacton...
-
ME285487
-
-
7.852214116
-
Cytosine
Cytosine
ME285554
-
C00380
7.852345507
-
Crotanecine
Crotanecine
ME285551
-
C10284
7.852454493
-
Clavulanic acid
Clavulanate
ME285550
-
C06662
7.853452613
-
[SP] Sphing-4-enine-1-phosphate
Sphingosine 1-phosphate
ME285478
-
C06124
7.854642092
-
L-Tyrosine
Tyrosine
ME285637
-
C00082
7.855074028
-
5-exo-Hydroxy-1,2-campholide
5-exo-Hydroxy-1,2-campholide
ME285507
-
C03843
7.865265741
-
2,3,4,5-Tetrahydrodipicolinate
-
ME285484
-
C03972
7.873277813
-
[PR] Iridotrial
Iridotrial
ME285476
-
C06070
7.907050019
-
Hippurate
Hippuric acid
ME285614
-
C01586
7.995912373
-
[FA (18:1)] 9Z-octadecenoic acid
Oleic acid
ME285465
-
C00712
8.029764839
-
Monomethyl sulfate
Methyl sulfate
ME285644
-
C02704
8.039632408
-
4-Methyl-2-oxopentanoate
Ketoleucine
ME285504
-
C00233
8.200883537
-
1-thio-beta-D-glucose
-
ME285483
-
-
8.312908182
-
Hypaphorine
Lenticin
ME285619
-
C09213
8.775129807
-
[PR] 4-Hydroxymytiloxanthin
-
ME285474
-
-
9.162630641
-
Ala-Asn-Gln-Gln
-
ME285518
-
-
9.191341905
-
PI(40:3)
PI 40:3
ME285693
-
-
9.766191051
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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