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Return to study ST002698 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
11-amino-undecanoic acid
11-Aminoundecanoic acid
ME637133
-
C19325
7.503438658
-
Benzimidazole
1H-Benzimidazole
ME637103
-
C02009
7.495505923
-
1-Methylhistidine
1-Methylhistidine
ME637203
-
C01152
12.09771787
-
1-Methylhypoxanthine
1-Methylhypoxanthine
ME637089
-
-
7.834146774
-
Diacetylmonoxime
2,3-Butanedione monoxime
ME637087
-
C07509
8.175424687
-
2,3-Diaminosalicylic acid
2,3-Diaminosalicylic acid
ME637137
-
-
8.169284548
-
DL-2-Aminooctanoic acid
2-Aminocaprylic acid
ME637280
-
-
12.92986398
-
2-Aminoheptanoate
2-Aminoheptanoic acid
ME637045
-
-
12.90491769
-
2-Butenyl-4-methyl-threonine
2-Butenyl-4-methylthreonine
ME637264
-
C12029
7.50542363
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME637170
-
C02659
7.502013963
-
2-Keto-6-aminocaproate
2-Keto-6-aminocaproate
ME637210
-
C03239
7.487938054
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME637258
-
-
5.666080947
-
2-Oxoarginine
2-Oxoarginine
ME637046
-
C03771
14.25802078
-
3-amino-octanoic acid
3-Aminooctanoic acid
ME637151
-
-
14.85263062
-
3-Butynoate
3-Butynoic acid
ME637051
-
C06144
10.50508325
-
3-(Cystein-S-yl)acetaminophen
3-(Cystein-S-yl)acetaminophen
ME637084
-
-
7.789283916
-
3-Dehydrocarnitine
3-Dehydrocarnitine
ME637146
-
C02636
7.494182808
-
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME637080
-
C00632
9.213994744
-
3-Methoxyanthranilate
3-Methoxyanthranilic acid
ME637079
-
C05831
7.494666071
-
3-Methylguanine
3-Methylguanine
ME637277
-
C02230
9.545139749
-
3-Oxohexobarbital
3-Oxohexobarbital
ME637284
-
C02517
7.484670221
-
Dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME637064
-
C02953_C00268
12.36240227
-
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME637047
-
C02946
9.14400323
-
4-Imidazolone-5-propionic acid
4-Imidazolone-5-propionic acid
ME637204
-
C03680
11.51270425
-
5-Acetamidovalerate
5-Acetamidovaleric acid
ME637066
-
C03087
12.45372954
-
5-Methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME637145
-
C03592
9.077275558
-
5-Methylcytosine
5-Methylcytosine
ME637054
-
C02376
9.00469298
-
5-Methylthioribose
5-Methylthioribose
ME637071
-
C03089
9.636948903
-
6-Acetyl-1,2,3,4-tetrahydropyridine
6-Acetyl-1,2,3,4-tetrahydropyridine
ME637131
-
-
18.99231718
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME637050
-
C01092
11.67143069
-
Acetamidopropanal
Acetamidopropanal
ME637296
-
C18170
7.674647309
-
Adenine
Adenine
ME637241
-
C00147
9.117526803
-
Adenosine
Adenosine
ME637247
-
C00212
8.731774975
-
Alanine
Alanine
ME637069
-
C00041_C00133
14.80896396
-
Ala/Ser
Ala-Ser
ME637176
-
-
21.57073197
-
Allysine
Allysine
ME637067
-
C01475_C04076
13.0749285
-
Aloin
Aloin
ME637295
-
C10305
7.490208287
-
Aminoadipic acid
Aminoadipic acid
ME637196
-
C00956
14.99816022
-
Adenosine monophosphate
AMP
ME637223
-
D06299_C00020
13.62966425
-
Psicofuranin
Angustmycin C
ME637119
-
C05342
9.756560925
-
Arginine
Arginine
ME637228
-
C00792_C00062
23.64274738
-
Asparagine
Asparagine
ME637207
-
C00152_C01905
15.42960481
-
Aspartate-semialdehyde
Aspartate-semialdehyde
ME637201
-
C00441
10.31382039
-
Aspartic acid
Aspartic acid
ME637225
-
C00402_C00049
15.24083223
-
Bendiocarb
Bendiocarb
ME637255
-
C14433
8.319072669
-
Botrydial
Botrydial
ME637291
-
C09622
7.46288923
-
Cantleyine
Cantleyine
ME637260
-
C09933
4.629213079
-
Decanoylcarnitine
CAR 10:0
ME637159
-
C03299
7.464627983
-
3-hydroxydecanoyl carnitine
CAR 10:0;3OH
ME637106
-
-
7.481598786
-
6-Keto-decanoylcarnitine
CAR 10:0;6oxo
ME637099
-
-
7.480339904
-
trans-2-Dodecenoylcarnitine
CAR 12:1(2E)
ME637088
-
-
7.45169397
-
Acetylcarnitine
CAR 2:0
ME637218
-
C02571
10.5044755
-
Propionylcarnitine
CAR 3:0
ME637175
-
C03017
9.207994625
-
Butyrylcarnitine
CAR 4:0
ME637288
-
C02862
8.170640196
-
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME637116
-
-
7.501602732
-
Hydroxybutyrylcarnitine
CAR 4:0;OH
ME637140
-
-
10.77719697
-
hydroxyisovaleroyl carnitine
CAR 4:0;OH,Me
ME637141
-
-
9.991042873
-
Hexanoylcarnitine
CAR 6:0
ME637160
-
-
7.486694809
-
Hydroxyhexanoycarnitine
CAR 6:0;OH
ME637114
-
-
9.411031017
-
2-Hexenoylcarnitine
CAR 6:1
ME637134
-
-
9.549563126
-
Heptanoylcarnitine
CAR 7:0
ME637090
-
-
7.480159175
-
Octanoylcarnitine
CAR 8:0
ME637172
-
C02838
7.473308945
-
Glutarylcarnitine
CAR DC5:0
ME637138
-
-
12.53876957
-
3-Methylglutarylcarnitine
CAR DC5:0;3Me
ME637143
-
-
11.97869513
-
Carnitine
Carnitine
ME637248
-
C00318_C00487
12.95656459
-
Carnosine
Carnosine
ME637252
-
C00386
15.50594526
-
Cholic acid
Cholic acid
ME637287
-
C00695
7.476588694
-
Citric acid
Citric acid
ME637217
-
C00158
18.55440871
-
Citrulline
Citrulline
ME637230
-
C00327
15.86229942
-
Creatine
Creatine
ME637227
-
C00300
14.5548983
-
Creatinine
Creatinine
ME637181
-
C00791
9.525572516
-
Cyclopentanone
Cyclopentanone
ME637101
-
C00557
7.493852361
-
Cystathionine
Cystathionine
ME637184
-
C02291_C00542
17.08880343
-
Cysteine-S-sulfate
Cysteine-S-sulfate
ME637185
-
C05824
18.02779156
-
Cystine
Cystine
ME637186
-
C01420_C00491
16.36948031
-
Cytidine
Cytidine
ME637189
-
C02961_C00475
11.832606
-
Deoxycytidine
Deoxycytidine
ME637245
-
C00881
10.2049012
-
Deoxyinosine
Deoxyinosine
ME637242
-
C05512
8.518453604
-
Deoxyuridine
Deoxyuridine
ME637246
-
C00526
8.115777388
-
Diethanolamine
Diethanolamine
ME637058
-
C06772
18.99107239
-
Dihydrothymine
Dihydrothymine
ME637068
-
C00906
14.69538604
-
Dihydrouracil
Dihydrouracil
ME637191
-
C00429
7.60122848
-
Dimethylglycine
Dimethylglycine
ME637075
-
C01026
11.9917301
-
Dopamine
Dopamine
ME637053
-
C03758
7.510783304
-
4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME637144
-
C04114
10.32227862
-
Ectoine
Ectoine
ME637059
-
C06231
12.71904353
-
Epsilon-(gamma-Glutamyl)-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME637273
-
-
17.99847027
-
Ergothioneine
Ergothioneine
ME637078
-
C05570
14.91458152
-
Arg-OEt
Ethyl arginate
ME637269
-
C01404
20.90870826
-
gamma-Glutamyl-gamma-aminobutyraldehyde
gamma-Glutamyl-gamma-aminobutyraldehyde
ME637180
-
C15700
8.455308073
-
N2-gamma-Glutamylglutamine
gamma-Glutamylglutamine
ME637276
-
C05283
15.19169348
-
gamma-Glutamylisoleucine
gamma-Glutamylisoleucine
ME637124
-
-
14.09024702
-
Glu/Arg
Glu-Arg
ME637286
-
-
18.00592869
-
Glu/Lys
Glu-Lys
ME637153
-
C04700
16.66406544
-
Glutamic acid
Glutamic acid
ME637224
-
C00217_C00025_C00302
14.89659104
-
Glutamine
Glutamine
ME637192
-
C00064_C00819
15.03808062
-
Glutathione
Glutathione
ME637077
-
C02471_C00051
19.71897612
-
Gly/Arg
Gly-Arg
ME637155
-
-
17.01088086
-
Guanidoacetic acid
Guanidoacetic acid
ME637226
-
C00581
15.93676369
-
Hippuric acid
Hippuric acid
ME637231
-
C01586
7.482538078
-
Histidinal
Histidinal
ME637060
-
C01929
7.745210217
-
Histidine
Histidine
ME637206
-
C06419_C00135
14.4026129
-
Homocarnosine
Homocarnosine
ME637179
-
C00884
13.89506146
-
2-Amino-5-(methylthio)pentanoic acid
Homomethionine
ME637044
-
C17213
16.60347047
-
Hypoxanthine
Hypoxanthine
ME637074
-
C00262
10.14760531
-
Ile/Ala
Ile-Ala
ME637169
-
-
12.2474059
-
Ile/Lys/Pro
Ile-Lys-Pro
ME637154
-
-
20.5976072
-
Ile/Pro
Ile-Pro
ME637168
-
-
9.490804376
-
Imidazoleacetic acid
Imidazoleacetic acid
ME637062
-
C02835
11.86220423
-
Imidazoleacetic acid riboside
Imidazoleacetic acid riboside
ME637061
-
C05131
13.06876184
-
Indospicine
Indospicine
ME637107
-
C08288
22.37872052
-
Inosine
Inosine
ME637244
-
C00294
10.81002845
-
Isoputreanine
Isoputreanine
ME637120
-
-
18.12672572
-
Isovalerylalanine
Isovalerylalanine
ME637283
-
-
7.480832769
-
Kynurenine
Kynurenine
ME637251
-
C00328
10.57661191
-
Lentiginosine
Lentiginosine
ME637136
-
C10155
14.73062098
-
Ethionine
L-Ethionine
ME637112
-
C11227
12.43479445
-
Leucine
Leucine
ME637220
-
C16439_C00123_C01570
10.51362465
-
Lotaustralin
Lotaustralin
ME637171
-
C08334
12.72140292
-
LysoPC(15:0)
LPC 15:0
ME637197
-
C04230
7.429188083
-
LysoPC(16:0)
LPC 16:0
ME637232
-
C04102_C04230
7.42806847
-
LysoPC(16:0)_1
LPC 16:0
ME637233
-
C04102_C04230
4.095539293
-
LysoPC(18:0)
LPC 18:0
ME637057
-
C04230
3.910517865
-
LysoPC(18:2)
LPC 18:2
ME637198
-
C04100_C04230
3.99791069
-
LysoPC(20:4)
LPC 20:4
ME637056
-
C04230
7.402416629
-
LysoPE(16:0)
LPE 16:0
ME637234
-
-
7.44721607
-
LysoPE(18:2)
LPE 18:2
ME637199
-
-
7.443389874
-
LysoPE(19:1)
LPE 19:1
ME637166
-
-
7.432477933
-
LysoPE(21:0)
LPE 21:0
ME637165
-
-
7.393667257
-
Lysine
Lysine
ME637237
-
C00739_C00047
22.31747863
-
Lys/Val
Lys-Val
ME637156
-
-
21.49191655
-
Mannitol
Mannitol
ME637195
-
C00392_C01489
13.9521981
-
Metharbital
Metharbital
ME637104
-
-
4.620516629
-
Methionine
Methionine
ME637193
-
C00073_C01733
11.40443279
-
Methionine sulfoxide
Methionine sulfoxide
ME637239
-
C02989
13.27781721
-
methyl-CoM
Methyl-CoM
ME637162
-
C03920
8.574079132
-
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME637063
-
C05828
9.396544575
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME637293
-
C05842
7.497093419
-
N4-Acetylaminobutanal
N4-Acetylaminobutanal
ME637048
-
C05936
10.77937694
-
N4-Acetylcytidine
N4-Acetylcytidine
ME637093
-
-
8.072500574
-
Theanine
N(5)-Ethyl-glutamine
ME637268
-
C01047
13.20417502
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME637212
-
C02727
12.42303205
-
N6-Hydroxy-L-lysine
N(6)-Hydroxy-lysine
ME637211
-
C01028
21.38983314
-
N(6)-Methyllysine
N(6)-Methyllysine
ME637177
-
C02728
21.77276894
-
Ne,Ne dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME637254
-
C05545 _C05545
20.83772415
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME637052
-
C03793
21.11668826
-
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME637083
-
C04521
13.90721247
-
N-acetyl-L-2-aminoadipate(2-)
N-Acetyl-2-aminoadipic acid
ME637209
-
C12986
13.86831847
-
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME637182
-
C01073
9.410488596
-
N-Acetylglutamic acid
N-Acetylglutamic acid
ME637213
-
C00624
14.44990227
-
N-Acetylglutamine
N-Acetylglutamine
ME637261
-
-
10.66290894
-
N-Acetylhistidine
N-Acetylhistidine
ME637282
-
C02997
10.25278041
-
N-Acetyl-L-methionine
N-Acetylmethionine
ME637129
-
C02712
7.480340467
-
N-Formyl-L-methionine
N-Formylmethionine
ME637222
-
C03145
7.488477943
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME637292
-
-
12.12444084
-
Nalpha-Methylhistidine
N-Methylhistidine
ME637263
-
C03298
12.76576309
-
Ornithine
Ornithine
ME637229
-
C00077_C01602_C00515
21.55751599
-
Otonecine
Otonecine
ME637262
-
C10356
10.71242837
-
Otonecine_1
Otonecine
ME637278
-
C10356
7.480723011
-
Oxidized glutathione
Oxidized glutathione
ME637214
-
C00127
17.31705962
-
PA(30:3)
PA 30:3
ME637055
-
-
8.224369894
-
Pantothenic acid
Pantothenic acid
ME637216
-
C00864
8.721355983
-
PC(34:2)
PC 34:2
ME637073
-
C00157
3.340041401
-
PC(36:2)
PC 36:2
ME637072
-
C00157
3.300733866
-
PC(P-18:0)
PC P-18:0
ME637164
-
-
7.408436893
-
Pentanamide
Pentanamide
ME637161
-
C01842
10.50682629
-
Prenyl glucoside
Phellamurin
ME637111
-
C09808
20.95449415
-
Phenylalanine
Phenylalanine
ME637194
-
C00079_C02265
9.898322587
-
Phe/Thr
Phe-Thr
ME637167
-
-
10.00523395
-
O-Phosphoethanolamine
Phosphoethanolamine
ME637219
-
C00346
16.11671074
-
PI(38:4)
PI 38:4
ME637200
-
C00626
2.996541668
-
Picolinamide
Picolinamide
ME637290
-
C01950
7.503455328
-
Pirbuterol
Pirbuterol
ME637117
-
C07807
12.33309887
-
Proline
Proline
ME637205
-
C00148_C00763
12.62965006
-
Propanoyl phosphate
Propanoyl phosphate
ME637238
-
C02876
11.98038039
-
psicoselysine
Psicosyllysine
ME637163
-
-
17.15131553
-
psicoselysine_1
Psicosyllysine
ME637289
-
-
20.52278488
-
Pyroglutamic acid
Pyroglutamic acid
ME637178
-
C01879_C02237
10.45702042
-
Quinaldic acid
Quinaldic acid
ME637102
-
C06325
7.487275823
-
Racemethionine
Racemethionine
ME637043
-
C00855_C01733
7.488451767
-
Retronecine
Retronecine
ME637148
-
C06177
13.30103546
-
Rhexifoline
Rhexifoline
ME637266
-
C09986
7.477130363
-
Ribose 5-phosphate
Ribose 5-phosphate
ME637240
-
C03736_C00117
15.85327323
-
Serine
Serine
ME637070
-
C00740_C00065_C00716
15.94382307
-
Homostachydrine
(S)-Homostachydrine
ME637113
-
C08283
9.610842994
-
Slaframine
Slaframine
ME637149
-
C06185
9.37764023
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME637235
-
C00670
14.03674832
-
1-(sn-Glycero-3-phospho)-myo-inositol
sn-Glycero-3-phosphoinositol
ME637294
-
C01225
16.18840532
-
Sphinganine 1-phosphate
Sphinganine 1-phosphate
ME637298
-
C01120
7.492801158
-
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME637297
-
C06124
7.49063926
-
Targinine
Targinine
ME637150
-
C03884
22.09278572
-
Taurine
Taurine
ME637183
-
C00245
15.49993272
-
Taurocyamine
Taurocyamine
ME637249
-
C01959
16.07941368
-
Taurohyocholate
Taurohyocholic acid
ME637271
-
C15516
7.458161926
-
Threonine
Threonine
ME637208
-
C00188_C00820
14.52442095
-
Thymine
Thymine
ME637187
-
C00178
7.493771091
-
trans-2-Tetradecenoylcarnitine
trans-2-Tetradecenoylcarnitine
ME637095
-
-
7.430810147
-
Tryptophan
Tryptophan
ME637250
-
C00525_C00806_C00078
11.58819101
-
Tyrosine
Tyrosine
ME637236
-
C01536_C00082_C06420
13.0921281
-
Uracil
Uracil
ME637188
-
C00106
8.495901621
-
Ureidopropionic acid
Ureidopropionic acid
ME637215
-
C02642
12.36640476
-
Uridine
Uridine
ME637190
-
C00299
9.839320192
-
Urocanate
Urocanic acid
ME637202
-
C00785
9.105019912
-
Valine
Valine
ME637221
-
C00183_C16436_C06417
12.25248328
-
Vigabatrin
Vigabatrin
ME637109
-
C07500
7.48617849
-
Xanthine
Xanthine
ME637243
-
C00385
11.75040008
-
1,6,8-trimethylallantoate
-
ME637130
-
-
23.64222616
-
(1R,2R)-2-amino-1-(4-aminophenyl)propane-1,3-diol
-
ME637096
-
-
7.490269339
-
2-Amino-2-methylbutanoate
-
ME637259
-
C03571
10.91456942
-
2-{[hydroxy(4-hydroxy-3,5-dimethoxyphenyl)methylid...
-
ME637123
-
-
12.75206252
-
2'-hydroxypyridoxol
-
ME637125
-
-
9.384358906
-
2-methylhistamine
-
ME637126
-
C17928
21.329715
-
2-methylphosphinoyl-2-hydroxyacetate
-
ME637142
-
-
15.29999941
-
3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]...
-
ME637265
-
-
10.15050823
-
(3-Arylcarbonyl)-alanine
-
ME637272
-
C03450
7.479834529
-
3-hydroxy-cis-5-octenoylcarnitine
-
ME637257
-
-
5.639926202
-
3-hydroxy-cis-5-octenoylcarnitine_1
-
ME637279
-
-
7.455956523
-
3-nitro-2-pentanol
-
ME637085
-
-
7.811505389
-
3-Pyridinebutanoic acid
-
ME637174
-
-
11.39500827
-
{[-4-(5-hydroxy-1-oxo-1H-isochromen-3-yl)but-3-en-...
-
ME637094
-
-
8.112191663
-
4-Hydroxyphenylacetaldehyde-oxime
-
ME637081
-
C04350_C04353
7.497611245
-
6-[4-(5,7-dihydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-...
-
ME637115
-
-
9.116153815
-
6-Amino-9H-purine-9-propanoic acid
-
ME637105
-
-
7.486829758
-
Acetyldihydrolipoamide
-
ME637147
-
C01136
7.595397186
-
Ala/Ala/Phe/His/Lys
-
ME637139
-
-
9.858550741
-
alpha-D-desosamine
-
ME637128
-
-
13.60727872
-
alpha-D-desosamine_1
-
ME637135
-
-
10.69516667
-
(alpha-keto-dimethyl-delta-N,N-Dimethylguanidynol)...
-
ME637281
-
-
10.61644578
-
Arg/Asp/Gly/Ser
-
ME637152
-
-
22.31473817
-
Asp/Cys/Cys/Ser
-
ME637285
-
-
17.00618327
-
beta-Alanyl-L-lysine
-
ME637049
-
C05341
21.09969046
-
beta-aspartyl-L-alanine
-
ME637274
-
-
15.32984754
-
C36-phenolphthiodiolenone A
-
ME637267
-
-
3.188501803
-
CAPS
-
ME637256
-
-
8.872830627
-
Carnitinamide
-
ME637097
-
C02290
19.63800541
-
clomethiazole
-
ME637098
-
-
10.28310319
-
Cotinine glucuronide
-
ME637173
-
-
17.85195247
-
dansyl chloride
-
ME637082
-
-
7.494483307
-
D,D-diaminopimelate
-
ME637065
-
C00680
22.31303595
-
DL-beta-hydroxynorvaline
-
ME637100
-
-
12.20465166
-
Europine
-
ME637108
-
C10301
9.981302092
-
formylaminopyrimidine
-
ME637092
-
-
7.505151638
-
Glutamate methylester
-
ME637270
-
C05016
9.848212884
-
jasmonoyl-1-aminocyclopropane-1 carboxylate
-
ME637086
-
-
7.49067549
-
Myrtenic acid
-
ME637157
-
C14515_C03037_C11940
7.487620375
-
N2-Fructopyranosylarginine
-
ME637253
-
-
17.20760135
-
N-(butyryl)-L-homoserine
-
ME637275
-
C11843
7.483616057
-
N-Desalkyl flurazepam
-
ME637127
-
-
11.62033205
-
N-Hydroxy-2-acetamidofluorene
-
ME637158
-
C03954
8.208030955
-
N-(hydroxydecanoyl)-L-serine
-
ME637118
-
-
8.518496003
-
N-hydroxy-N-acetylcadaverine
-
ME637132
-
-
16.19490701
-
N,N'-Diacetylchitobiosyldiphosphodolichol
-
ME637122
-
C04537
9.897512403
-
phenyl sulfoxide
-
ME637091
-
-
14.78290656
-
p-nitroso-N,N-dimethylaniline
-
ME637121
-
-
7.477510727
-
Selenocysteine selenate
-
ME637076
-
C05705
19.73993458
-
Swainsonine
-
ME637110
-
C10173
11.49091075
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
12-HETE
12-HETE
ME637352
-
C14777
3.43641777
-
trans-Dodec-2-enoic acid
2E-Dodecenoyl-CoA
ME637335
-
-
3.589848887
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME637381
-
C05123
11.53186362
-
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME637346
-
C03196_C02630_C01087
15.53088169
-
2-Hydroxycaproic acid
2-Hydroxyhexanoic acid
ME637325
-
-
7.488086545
-
2-Hydroxyhexadecanoic acid
2-Hydroxypalmitic acid
ME637353
-
-
3.522429567
-
2-Keto-glutaramic acid
2-Keto-glutaramic acid
ME637347
-
C00940
10.99663398
-
2-methyl-tridecanedioic acid
2-Methyl-tridecanedioic acid
ME637327
-
-
7.479294059
-
Oxoglutaric acid
2-Oxoglutaric acid
ME637361
-
C00026
16.17908507
-
2-Pyridyl hydroxymethane sulfonic acid
2-Pyridyl hydroxymethane sulfonic acid
ME637432
-
C11327
7.49658214
-
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME637370
-
C01198
8.868096396
-
3,3'-Thiobispropanoic acid
3,3'-Thiobispropanoic acid
ME637442
-
-
7.862052409
-
3-Dehydroquinate
3-Dehydroquinate
ME637356
-
C00944
11.23901723
-
3-Hydroxytetradecanedioic acid
3-Hydroxy-tetradecanedioic acid
ME637402
-
-
7.47829814
-
3-methyl-tetradecanedioic acid
3-Methyl-tetradecanedioic acid
ME637323
-
-
7.47875061
-
3-Oxododecanoic acid
3-Oxododecanoic acid
ME637466
-
C02367
3.631609774
-
3-Oxotetradecanoic acid
3-Oxotetradecanoic acid
ME637465
-
-
3.517148817
-
4-Hydroxyhexan-3-one
4-Hydroxyhexan-3-one
ME637419
-
C02948
4.57721935
-
3-(4-Hydroxyphenyl)pyruvate
4-Hydroxyphenylpyruvic acid
ME637304
-
C01179
8.524001149
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME637396
-
-
10.00631725
-
5-Aminolevulinic acid
5-Amino-levulinic acid
ME637357
-
C00430
14.38410799
-
5-Hydroxypentanoic acid
5-Hydroxyvaleric acid
ME637463
-
C02804
7.493961802
-
9,10-DiHODE
9,10-DiHODE
ME637359
-
-
3.887404455
-
Acetoacetic acid
Acetoacetic acid
ME637302
-
C00164
8.892316691
-
Adrenic acid
Adrenic acid
ME637377
-
C16527
3.338635109
-
Allantoin
Allantoin
ME637373
-
C01551_C02348_C02350
14.6642666
-
Apiitol
Apiitol
ME637422
-
C01569
10.32876376
-
Arabinonate
Arabinonic acid
ME637364
-
C05411_C00545_C00878_C01685_C05412_C00502
13.97821329
-
Arachidonic acid
Arachidonic acid
ME637379
-
C00219
3.393141379
-
C17 Sphingosine-1-phosphate
C17 Sphingosine 1-phosphate
ME637407
-
-
7.49009641
-
CHAPS
CHAPS
ME637447
-
C11321
8.237653228
-
Cholesterol sulfate
Cholesterol sulfate
ME637440
-
C18043
2.979650588
-
Cinnamoylglycine
Cinnamoylglycine
ME637406
-
-
5.623895535
-
cis-Aconitic acid
cis-Aconitic acid
ME637345
-
C00417
18.44474996
-
Tyrosol 4-sulfate
Coenzyme Q9
ME637398
-
-
7.485778518
-
Cysteic acid
Cysteic acid
ME637316
-
C00506
15.49011078
-
Docosahexaenoic acid
Docosahexaenoic acid
ME637470
-
C06429
3.345261834
-
Eicosenoic acid
Eicosenoic acid
ME637332
-
C16526
3.33143226
-
Erythronic acid
Erythronic acid
ME637307
-
C01620
17.16272983
-
Erythronic acid_1
Erythronic acid
ME637308
-
C01620
13.28004463
-
Erythrulose
Erythrulose
ME637350
-
C02022_C02045
12.12087415
-
Fructose
Fructose
ME637343
-
C00095_C00795_C02336
17.34285091
-
Galactaric acid
Galactaric acid
ME637306
-
C00879_C01807_C00818_C01357
16.67810945
-
Galactonic acid
Galactonic acid
ME637366
-
C15930_C00800_C00257_C00880_C00770_C00514
13.98757684
-
xi-gamma-Undecalactone
gamma-Undecalactone
ME637416
-
C08571
3.706738741
-
Garcinia acid
Garcinia acid
ME637391
-
-
17.15932152
-
Glu/Asp/Phe
Glu-Asp-Phe
ME637469
-
-
9.872076198
-
Gluconic acid
Gluconic acid
ME637367
-
C00257_C00880_C15930_C00800_C00817_C00770_C00514
14.78120644
-
Glucose
Glucose
ME637319
-
C00738_C00031_C00267_C01662_C01381_C00221
15.09067268
-
Glucuronic acid
Glucuronic acid
ME637365
-
C00191
16.70286135
-
Glycerol
Glycerol
ME637320
-
C00116
10.3955634
-
Heptadecenedioic acid
Heptadecenedioic acid
ME637389
-
-
7.473343422
-
HpOTrE
HpOTrE
ME637471
-
C16321_C04785
4.027600016
-
Hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME637383
-
C03672_C03964
9.49281064
-
Indolelactic acid
Indolelactic acid
ME637382
-
C02043
8.376531528
-
Indolepyruvate
Indolepyruvate
ME637354
-
C00331
7.49117973
-
Indoxyl sulfate
Indoxyl sulfate
ME637434
-
-
8.877089945
-
alpha-Ketoisovaleric acid
Ketoisovaleric acid
ME637301
-
C00141
7.495054298
-
Ketoleucine
Ketoleucine
ME637300
-
C00233
4.608091408
-
Dehydroascorbate
L-Dehydroascorbic acid
ME637312
-
C05422
7.48955772
-
LysoPA(16:0)
LPA 16:0
ME637314
-
C00416_C04036
7.422679175
-
LysoPE(16:0)
LPE 16:0
ME637371
-
-
4.117648824
-
Malic acid
Malic acid
ME637351
-
C00149_C03668_C00497
16.52384676
-
Heptadecanoic acid
Margaric acid
ME637378
-
-
3.386792484
-
N-Acetylanthranilate
Methyl n-acetylanthranilate
ME637415
-
C06332
5.558655294
-
Monomethyl sulfate
Methyl sulfate
ME637390
-
C02704
9.350270262
-
Monoglyceride citrate
Monoglyceride citrate
ME637441
-
-
11.59096305
-
Myristic acid
Myristic acid
ME637321
-
C06424
3.471455383
-
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME637303
-
C01042
14.89297713
-
N-acetyl -D- glucosaminitol
N-Acetyl-glucosaminitol
ME637439
-
-
12.95075531
-
Nereistoxin
Nereistoxin
ME637450
-
C11474
15.53148873
-
N-lactoyl-Methionine
N-Lactoyl methionine
ME637386
-
-
7.480100674
-
O-Acetylserine
O-Acetylserine
ME637317
-
C00979
10.99500954
-
FA (18:2)
Octadecadienoic acid
ME637331
-
-
3.394218273
-
FA (18:3)
Octadecatrienoic acid
ME637330
-
-
3.414541396
-
octadecenoic acid
Octadecenoic acid
ME637328
-
-
3.378032761
-
Orotic acid
Orotic acid
ME637349
-
C00295
10.71929103
-
Oxoadipic acid
Oxoadipic acid
ME637338
-
C00322
15.27933224
-
Palmitic acid
Palmitic acid
ME637348
-
C00249
3.410809663
-
Palmitoleic acid
Palmitoleic acid
ME637376
-
C08362
3.427459151
-
p-Cresol glucuronide
P-Cresol glucuronide
ME637443
-
-
8.015355095
-
3-Phenyllactic acid
Phenyllactic acid
ME637369
-
C01479_C05607
7.478752972
-
Phytuberin
Phytuberin
ME637436
-
C09709
3.534865545
-
PI(36:2)
PI 36:2
ME637341
-
C00626
2.999993451
-
PI(36:4)
PI 36:4
ME637340
-
C00626
3.001071449
-
PI(38:5)
PI 38:5
ME637342
-
C00626
2.999995822
-
PI(40:7)
PI 40:7
ME637468
-
-
2.978429776
-
Pipecolic acid
Pipecolic acid
ME637339
-
C00408
12.23269573
-
Pseudouridine
Pseudouridine
ME637375
-
C02067
12.00714932
-
Rhamnose
Rhamnose
ME637337
-
C00507_C02338_C02476_C02522
12.04325354
-
Saccharin
Saccharin
ME637472
-
D01085_C12283
7.252012897
-
Sebacic acid
Sebacic acid
ME637460
-
C08277
5.685110128
-
Sebacic acid_1
Sebacic acid
ME637461
-
C08277
7.481456539
-
Beta-Glycerophosphoric acid
sn-Glycero-2-phosphate
ME637388
-
C02979
14.01597079
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME637372
-
C00623_C00093
15.15792412
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME637444
-
C03274
12.94095241
-
Stearic acid
Stearic acid
ME637355
-
C01530
3.360073114
-
Succinic acid
Succinic acid
ME637362
-
C00042
15.56241563
-
Sulfoacetate
Sulfoacetic acid
ME637380
-
C14179
18.95521503
-
Taurodeoxycholic acid
Taurodeoxycholic acid
ME637315
-
C05463
3.872761899
-
Tetradecanedioic acid
Tetradecanedioic acid
ME637464
-
C11002
4.61571252
-
Tetrahydrocortisone
Tetrahydrocortisone
ME637453
-
C05470
4.112366665
-
Tetranor-PGE1
Tetranor-PGE1
ME637458
-
-
7.482532174
-
trans-Aconitic acid
trans-Aconitic acid
ME637344
-
C02341_C00417
19.71712508
-
Uric acid
Uric acid
ME637318
-
C00366
13.20369346
-
Ursodeoxycholic acid
Ursodeoxycholic acid
ME637456
-
C07880
7.452884454
-
Ascorbate
Vitamin C
ME637311
-
C00072
15.13353785
-
Xylose
Xylose
ME637368
-
C02205_C00181_C01510_C02096
10.6121626
-
10-keto myristic acid
-
ME637459
-
-
7.483960908
-
11-bromo-undecanoic acid
-
ME637452
-
-
7.488040225
-
1-[(3-Carboxypropyl)amino]-1-deoxyfructose
-
ME637414
-
-
10.49531304
-
1-Pentanesulfenothioic acid
-
ME637423
-
-
10.16490059
-
2,3-Dihydroxycyclopentaneundecanoic acid
-
ME637426
-
C14987
4.18079883
-
2,4-Dihydroxyacetophenone 5-sulfate
-
ME637438
-
-
18.91926204
-
2,5-Dioxopentanoate
-
ME637310
-
C00433
7.487938054
-
2-C-Methyl-D-erythritol 4-phosphate
-
ME637313
-
C11434
14.64148563
-
2-isocapryloyl-hydroxymethyl-gamma-butyrolactone
-
ME637393
-
-
7.482132036
-
2-Methyl-3-oxopropanoic acid
-
ME637299
-
C06002_C00349
7.503296227
-
2-oxo-nonanoic acid
-
ME637322
-
-
7.483563446
-
(2R,4S)-2,4-Diaminopentanoate
-
ME637305
-
C03943
23.61879568
-
3-hydroxy-3-methyl-2-oxobutanoate
-
ME637384
-
C04181
7.496403159
-
3-Oxodecanoic acid
-
ME637333
-
-
3.776264511
-
3-Oxooctadecanoic acid
-
ME637336
-
-
3.469937109
-
4-hydroxytriazolam
-
ME637424
-
-
13.2158222
-
5-Carboxy-2'-deoxyuridine
-
ME637446
-
-
8.126226189
-
5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid
-
ME637405
-
-
4.631373178
-
5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid_1
-
ME637421
-
-
7.481456539
-
6alpha-Hydroxycortisol
-
ME637420
-
C15291
7.470154051
-
6-Methoxy-3-(2-thiazolyl)-1H-indole
-
ME637409
-
-
15.06164155
-
(9R,13R)-1a,1b-dihomo-jasmonic acid
-
ME637358
-
-
3.53656905
-
Ala/Phe/Pro/Thr/Trp
-
ME637408
-
-
7.446699996
-
alpha-Methylstyrene
-
ME637410
-
C14395
4.541676861
-
a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic ...
-
ME637363
-
C04733_C06118
17.29205954
-
arabino-1,4-lactone 5-phosphate
-
ME637385
-
-
15.0180999
-
Ascorbate 2-sulfate
-
ME637427
-
C02812
19.08636911
-
Caffeic acid 3-sulfate
-
ME637429
-
-
20.55773221
-
coelimycin P1
-
ME637392
-
-
15.07465897
-
dihydroartemisinic acid hydroperoxide
-
ME637454
-
-
4.602754756
-
dihydroartemisinic acid hydroperoxide_1
-
ME637455
-
-
7.479832731
-
Dihydronaringenin-O-sulphate
-
ME637400
-
-
9.618405448
-
Epicatechin sulfate
-
ME637451
-
-
7.486462453
-
Ethyl -3-hydroxyhexanoate
-
ME637467
-
C03864_C03865
7.49151718
-
Ethyl 7-epi-12-hydroxyjasmonate glucoside
-
ME637403
-
-
7.480288282
-
Ethyl beta-D-glucopyranoside
-
ME637448
-
-
8.925683339
-
Ethylene brassylate
-
ME637411
-
-
7.47929346
-
FA methyl(16:1)
-
ME637326
-
-
3.387804265
-
FA methyl(8:0)
-
ME637329
-
-
3.802808068
-
FA oxo(14:2) cyclopentanebutanoic acid
-
ME637360
-
-
3.539808328
-
Gallicynoic acid A
-
ME637401
-
-
7.476892992
-
Gallicynoic acid A_1
-
ME637412
-
-
4.620518967
-
Gallicynoic acid H
-
ME637431
-
-
7.47875299
-
Gallicynoic acid H_1
-
ME637449
-
-
4.375510733
-
Gentianamine
-
ME637399
-
C09961
4.617909336
-
Glucurono-6,3-lactone
-
ME637309
-
C02670
18.64424189
-
His/Lys/Lys/Met/Ser
-
ME637418
-
-
3.854959515
-
indole-3-acetonitrile oxide
-
ME637394
-
-
7.482538078
-
Inulicin
-
ME637397
-
C09483
7.480375581
-
Kamahine C
-
ME637387
-
-
7.484152948
-
Lactapiperanol C
-
ME637417
-
-
7.477672631
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME637462
-
-
4.517404839
-
Orange I
-
ME637425
-
-
9.834869494
-
Phenethyl rutinoside
-
ME637428
-
-
7.483074424
-
PKOOA-PE
-
ME637445
-
-
3.927795229
-
Polypropylene glycol (m w 1,200-3,000)
-
ME637430
-
-
7.495424168
-
Salsoline-1-carboxylate
-
ME637395
-
-
7.478749411
-
Sarcinic acid
-
ME637324
-
C16665
3.448990319
-
Sphingosine 1-phosphate (d16:1-P)
-
ME637473
-
-
7.491180347
-
sulfoglutathione
-
ME637437
-
-
19.70409132
-
Swietenidin B
-
ME637433
-
C10741
7.480810353
-
Thienodihydropyridinium
-
ME637435
-
-
17.05272028
-
Tolylacetonitrile
-
ME637404
-
C02596
7.49064282
-
trans-Tetra-dec-2-enoic acid
-
ME637334
-
-
3.511721506
-
Trifluoroacetic acid
-
ME637413
-
-
4.625110241
-
Trimetaphosphoric acid
-
ME637374
-
C02466
21.71489245
-
Tylactone
-
ME637457
-
C12000
7.477731493
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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