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Return to study ST002681 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Methylxanthine
1-Methylxanthine
ME634112
-
C16358
1.120161
-
Anthranilate
2-Aminobenzoic acid
ME634056
-
C00108
0.7075785
-
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME634035
-
C03771
0.7417704
-
3-Methyldioxyindole
3-Methyldioxyindole
ME634049
-
C05834
1.762277
-
3-Sulfino-L-alanine
3-Sulfino-alanine
ME634045
-
C00606
0.7070231
-
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME634039
-
C02946
0.7017526
-
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME634109
-
C03680
0.6987821
-
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME634048
-
C05635
1.261607
-
5-Hydroxyisourate
5-Hydroxyisouric acid
ME634022
-
C11821
0.6856924
-
Adenine
Adenine
ME634018
-
C00147
0.7338234
-
Adenosine
Adenosine
ME634017
-
C00212
0.9056617
-
L-alanine
Alanine
ME633997
-
C00041
0.6894616
-
Allantoate
Allantoic acid
ME634021
-
C00499
0.6403657
-
L-arginine
Arginine
ME633998
-
C00062
0.6580484
-
L-asparagine
Asparagine
ME633999
-
C00152
0.7001029
-
L-aspartate
Aspartic acid
ME634000
-
C00049
0.720399
-
Bilirubin
Bilirubin
ME634107
-
C00486
1.929518
-
Biliverdin
Biliverdin
ME634106
-
C00500
1.996499
-
Caffeine
Caffeine
ME634113
-
C07481
1.762733
-
Decanoylcarnitine
CAR 10:0
ME634077
-
HMDB0000651
1.986911
-
Hydroxydecanoyl carnitine
CAR 10:0;OH
ME634079
-
HMDB0061636
1.852122
-
Hydroxyundecanoyl carnitine
CAR 10:0;OH
ME634082
-
HMDB0061637
1.867206
-
Dodecanoylcarnitine
CAR 12:0
ME634081
-
HMDB0002250
2.544364
-
Hydroxydodecanoyl carnitine
CAR 12:0;OH
ME634083
-
HMDB0061638
1.965731
-
Dodecenoylcarnitine
CAR 12:1
ME634080
-
HMDB0013326
2.156984
-
Tetradecanoylcarnitine
CAR 14:0
ME634085
-
HMDB0005066
3.246308
-
Hydroxytetradecanoyl carnitine
CAR 14:0;OH
ME634088
-
HMDB0061640
2.516538
-
Tetradecenoylcarnitine
CAR 14:1
ME634084
-
HMDB0062588
2.781676
-
Hydroxytetradecenoylcarnitine
CAR 14:1;OH
ME634086
-
HMDB0013330
2.087305
-
Pentadecanoylcarnitine
CAR 15:0
ME634087
-
HMDB0062517
3.478756
-
Hexadecenoylcarnitine
CAR 16:0
ME634089
-
HMDB0013207
3.44066
-
Palmitoylcarnitine
CAR 16:0
ME634090
-
HMDB0000222
2.203361
-
Hydroxyhexadecanoyl carnitine
CAR 16:0;OH
ME634093
-
HMDB0061642
3.22541
-
Hydroxyhexadecenoylcarnitine
CAR 16:1;OH
ME634091
-
HMDB0013333
2.721848
-
Hexadecadienoylcarnitine
CAR 16:2
ME634104
-
HMDB0013334
2.908078
-
Heptadecanoyl carnitine
CAR 17:0
ME634092
-
HMDB0006210
2.470115
-
Stearoylcarnitine
CAR 18:0
ME634098
-
HMDB0000848
3.102711
-
Octadecenylcarnitine
CAR 18:1
ME634097
-
HMDB0013338
2.061977
-
Hydroxyoctadecenoylcarnitine
CAR 18:1;OH
ME634099
-
HMDB0013339
3.381475
-
Linoelaidyl carnitine
CAR 18:2(9E,12E)
ME634096
-
HMDB0006461
3.586252
-
Acetylcarnitine
CAR 2:0
ME634064
-
HMDB0000201
0.7091627
-
Arachidyl carnitine
CAR 20:0
ME634100
-
HMDB0006460
2.846769
-
Arachidonyl carnitine
CAR 20:4
ME634103
-
HMDB0006455
2.4385
-
Cervonyl carnitine
CAR 22:6
ME634101
-
HMDB0006510
3.247421
-
Propionylcarnitine
CAR 3:0
ME634065
-
HMDB0000824
0.8079266
-
Butyrylcarnitine
CAR 4:0
ME634066
-
HMDB0002013
1.558154
-
Tiglylcarnitine
CAR 4:1;2Me
ME634067
-
HMDB02366
1.752271
-
Valerylcarnitine
CAR 5:0
ME634068
-
HMDB0013128
1.745132
-
Hexanoylcarnitine
CAR 6:0
ME634070
-
HMDB0000705
1.781802
-
Hexenoylcarnitine
CAR 6:1
ME634069
-
HMDB0013161
1.77574
-
Dimethylheptanoyl carnitine
CAR 7:0;2Me,6Me
ME634074
-
HMDB0006320
1.889744
-
Octanoylcarnitine
CAR 8:0
ME634073
-
HMDB0000791
1.86391
-
Hydroxyoctanoyl carnitine
CAR 8:0;OH
ME634076
-
HMDB0061634
1.777047
-
Octenoylcarnitine
CAR 8:1
ME634072
-
HMDB0013324
1.818865
-
Methylmalonylcarnitine
CAR DC3:0;2Me
ME634071
-
HMDB0013133
0.7564021
-
Pimelylcarnitine
CAR DC7:0
ME634075
-
HMDB0013328
1.74492
-
Carnosine
Carnosine
ME634034
-
C00386
0.6579108
-
L-Citrulline
Citrulline
ME634029
-
C00327
0.6906725
-
Creatine
Creatine
ME634037
-
C00300
0.6926473
-
Creatinine
Creatinine
ME634038
-
C00791
0.6903187
-
L-Cysteate
Cysteic acid
ME634046
-
C00506
0.6037756
-
L-cysteine
Cysteine
ME634001
-
C00097
0.700775
-
L-cystine
Cystine
ME634016
-
C00491
0.7055169
-
Diethanolamine
Diethanolamine
ME634061
-
C06772
0.689442
-
Asymmetric dimethyl arginine
Dimethylarginine
ME634033
-
C03626
0.6829484
-
Dimethylglycine
Dimethylglycine
ME634027
-
C01026
0.6982512
-
Gamma-linolenyl carnitine
gamma-Linolenyl carnitine
ME634095
-
HMDB0006318
3.072593
-
D-Glucosamine
Glucosamine
ME634032
-
C00329
0.7573672
-
L-glutamate
Glutamic acid
ME634002
-
C00025
0.6970667
-
L-glutamine
Glutamine
ME634003
-
C00064
0.6961851
-
glycine
Glycine
ME634004
-
C00037
0.696449
-
L-histidine
Histidine
ME634005
-
C00135
0.6356379
-
L-Homocysteine
Homocysteine
ME634026
-
C00155
0.7192472
-
Hypotaurine
Hypotaurine
ME634044
-
C00519
0.7045771
-
Hypoxanthine
Hypoxanthine
ME634019
-
C00262
0.7833512
-
Indole
Indole
ME634050
-
C00463
1.723582
-
Indole-3-acetate
Indoleacetic acid
ME634051
-
C00954
1.868166
-
Indoxyl
Indoxyl
ME634052
-
C05658
1.823513
-
Kynurenic acid
Kynurenic acid
ME634055
-
C01717
1.780446
-
Kynurenine
Kynurenine
ME634054
-
C00328
1.247485
-
L-leucine
Leucine
ME634006
-
C00123
0.8234196
-
L-lysine
Lysine
ME634007
-
C00047
0.6248515
-
L-methionine
Methionine
ME634008
-
C00073
0.7169002
-
L-Methionine S-oxide
Methionine sulfoxide
ME634047
-
C02989
0.8591872
-
N-Acetyl-L-glutamate
N-Acetylglutamic acid
ME634115
-
C00624
1.854342
-
N-Acetyl-L-ornithine
N-Acetylornithine
ME634040
-
C00437
0.7053686
-
Nicotimide
Niacinamide
ME634023
-
C00153
0.8470407
-
Phosphodimethyl-ethanolamine
N,N-Dimethylethanolamine phosphate
ME634063
-
C13482
0.6978632
-
Ornithine
Ornithine
ME634028
-
C01602
0.6242961
-
L-phenylalanine
Phenylalanine
ME634009
-
C00079
1.199372
-
phenyllactate (PLA)
Phenyllactic acid
ME634110
-
C05607
1.906482
-
Phosphocreatine
Phosphocreatine
ME634036
-
C02305
0.7662995
-
Phosphate
Phosphoric acid
ME634024
-
C00009
0.779631
-
L-proline
Proline
ME634010
-
C00148
0.6992943
-
5-Oxoproline
Pyroglutamic acid
ME634025
-
C01879
0.6969548
-
Riboflavin
Riboflavin
ME634114
-
C00255
1.740249
-
L-serine
Serine
ME634011
-
C00065
0.6937205
-
Serotonin
Serotonin
ME634060
-
C00780
0.9905966
-
Spermidine
Spermidine
ME634030
-
C00315
0.6258916
-
Spermine
Spermine
ME634031
-
C00750
0.6201852
-
Sphingosine
Sphingosine
ME634105
-
C00319
2.66913
-
Taurine
Taurine
ME634043
-
C00245
0.7199693
-
Theobromine
Theobromine
ME634111
-
C07480
1.720218
-
L-threonine
Threonine
ME634012
-
C00188
0.6944706
-
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME634041
-
C01157
0.6941764
-
Triethanolamine
Triethanolamine
ME634062
-
C06771
0.6798533
-
trimethylamineoxide
Trimethylamine N-oxide
ME634108
-
C01104
0.6910763
-
L-tryptophan
Tryptophan
ME634013
-
C00078
1.719916
-
L-tyrosine
Tyrosine
ME634014
-
C00082
0.7346248
-
L-valine
Valine
ME634015
-
C00183
0.7127898
-
Xanthine
Xanthine
ME634020
-
C00385
0.6190669
-
2-Aminomucote
-
ME634058
-
C00322
0.7095807
-
8-Methoxykynurete
-
ME634059
-
C05830
1.810785
-
Dimethylnonoyl carnitine
-
ME634078
-
HMDB0006202
2.016355
-
g-Oxalo-crotote
-
ME634057
-
C03453
0.7252541
-
L-1-Pyrroline-3-hydroxy-5-carboxylate
-
ME634042
-
C04281
0.9006798
-
L-Tryptophamide
-
ME634053
-
C00977
1.739771
-
Stearidonyl carnitine
-
ME634094
-
HMDB0006463
2.757905
-
Tetracosatetraenoyl carnitine
-
ME634102
-
HMDB0060158
2.440003
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME634149
-
C02630
0.5669137
-
2-Oxoglutarate
2-Oxoglutaric acid
ME634145
-
C00026
0.5600109
-
2/3-Phospho-D-glycerate
2-Phosphoglyceric acid
ME634134
-
C00631
0.5619521
-
Beta Hydroxybutyrate
3-Hydroxybutyric acid
ME634168
-
C01089
0.6340662
-
Mercaptopyruvate
3-Mercaptopyruvic acid
ME634158
-
C00957
0.689375
-
4-Pyridoxate
4-Pyridoxic acid
ME634129
-
C00847
0.6977901
-
Acetoacetate
Acetoacetic acid
ME634167
-
C00164
0.6771261
-
ADP
ADP
ME634117
-
C00008
0.6675246
-
(S)(+)-Allantoin
Allantoin
ME634126
-
C02350
0.6724952
-
Allochenodeoxycholate
Allochenodeoxycholic acid
ME634191
-
C17664
2.027366
-
AMP
AMP
ME634118
-
C00020
0.6117043
-
ATP
ATP
ME634116
-
C00002
1.376262
-
Decanoic acid (caprate)
Capric acid
ME634170
-
C01571
2.090841
-
Octanoic acid (caprylate)
Caprylic acid
ME634169
-
C06423
1.7414
-
Citrate
Citric acid
ME634144
-
C00158
0.5580856
-
(8Z-11Z-14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME634184
-
C03242
2.670597
-
Docosahexaenoic acid
Docosahexaenoic acid
ME634182
-
C06429
2.431896
-
Dodecanedioic acid
Dodecanedioic acid
ME634183
-
C02678
1.720637
-
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...
DPA
ME634185
-
C16513
2.535646
-
Eicosapentaenoic acid
Eicosapentaenoic acid
ME634181
-
C06428
2.370543
-
Eicosatetraenoic acid
Eicosatetraenoic acid
ME634180
-
C00219
2.515529
-
Fumarate
Fumaric acid
ME634147
-
C00122
0.5713418
-
GDP
GDP
ME634120
-
C00035
0.5772262
-
D-Glucose
Glucose
ME634131
-
C00031
0.6733726
-
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME634132
-
C00118
0.7044759
-
Glycocholate
Glycocholic acid
ME634187
-
C01921
1.737329
-
GMP
GMP
ME634121
-
C00144
0.6311278
-
GTP
GTP
ME634119
-
C00044
1.270943
-
HETE
HETE
ME634193
-
C04805
1.974851
-
Hexadecenoic acid
Hexadecenoic acid
ME634176
-
C08362
2.561171
-
HODE
HODE
ME634192
-
C14762
2.160989
-
IMP
IMP
ME634124
-
C00130
0.5369532
-
Indolepyruvate
Indolepyruvate
ME634162
-
C00331
0.7386766
-
Inosine
Inosine
ME634125
-
C00294
0.6300656
-
Lactate
Lactic acid
ME634137
-
C01432
0.6166431
-
Dodecanoic acid
Lauric acid
ME634171
-
C02679
2.294503
-
Dehydroascorbate
L-Dehydroascorbic acid
ME634152
-
C05422
0.5618798
-
Malate
Malic acid
ME634148
-
C00149
0.5687523
-
Maltotriose
Maltotriose
ME634139
-
C01835
0.6824384
-
Tetradecanoic acid
Myristic acid
ME634172
-
C06424
2.533743
-
Octadecadienoic acid
Octadecadienoic acid
ME634178
-
C01595
2.60687
-
Octadecatrienoic acid
Octadecatrienoic acid
ME634179
-
C06427
2.430573
-
Octadecenoic acid
Octadecenoic acid
ME634177
-
C00712
2.893918
-
Hexadecanoic acid
Palmitic acid
ME634173
-
C00249
2.864654
-
Pantothenol
Pantothenol
ME634157
-
C00864
0.6460866
-
Prostaglandin G2
PGG2
ME634199
-
C05956
1.874659
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME634135
-
C00074
3.05658
-
Phosphoethanolamine
Phosphoethanolamine
ME634166
-
C00346
0.6223668
-
Picolinic acid
Picolinic acid
ME634163
-
C10164
0.6115599
-
pipecolate
Pipecolic acid
ME634203
-
C00408
0.6988364
-
Pyridoxal
Pyridoxal
ME634128
-
C00250
0.6552172
-
Diphosphate
Pyrophosphate
ME634130
-
C00013
0.5993698
-
Pyruvate
Pyruvic acid
ME634136
-
C00022
0.6372188
-
D-Rhamnose
Rhamnose
ME634142
-
C01684
0.6898572
-
D-Ribose
Ribose
ME634141
-
C00121
0.6675702
-
(R)-S-Lactoylglutathione
S-Lactoylglutathione
ME634161
-
C03451
1.744505
-
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME634165
-
C00093
0.6211577
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME634164
-
C01233
0.6643003
-
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME634201
-
C06124
1.813919
-
Octadecanoic acid
Stearic acid
ME634174
-
C01530
3.352611
-
Succite
Succinic acid
ME634146
-
C00042
0.5612794
-
Taurocholate
Taurocholic acid
ME634188
-
C05122
1.739283
-
Tetradecenoic acid
Tetradecenoic acid
ME634175
-
C08322
2.342627
-
Thiocysteine
Thiocysteine
ME634159
-
C01962
0.6450881
-
UDP
UDP
ME634122
-
C00015
1.269487
-
UMP
UMP
ME634123
-
C00105
0.582014
-
Urate
Uric acid
ME634127
-
C00366
0.6290481
-
Ascorbate
Vitamin C
ME634151
-
C00072
0.5871093
-
1-4-beta-D-Xylan
-
ME634156
-
C02352
0.6724609
-
2-3-Bisphosphoglycerate
-
ME634133
-
C03339
2.249605
-
2-3-Dinor-8-iso prostaglandin F2alpha
-
ME634200
-
C14794
1.721116
-
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholate
-
ME634186
-
C00695
1.778233
-
cresol
-
ME634202
-
C01467
0.6818269
-
D-Arabitol/Xylitol/Ribitol
-
ME634143
-
C01904
0.6810902
-
D-Glucorote
-
ME634155
-
C00191
0.6045597
-
Glycodeoxycholate/Glychenodeoxycholate
-
ME634190
-
C05464
1.748489
-
HPETE/Leukotriene B4 (isobars)
-
ME634194
-
C14820
2.539769
-
Itacote
-
ME634150
-
C00490
0.563634
-
Maltose/Sucrose
-
ME634138
-
C00208
0.6806859
-
Mannitol/Sorbitol/Glucitol/Iditol
-
ME634140
-
C00392
0.6932993
-
N-Acetylneuramite
-
ME634154
-
C00270
0.6131305
-
Propiote
-
ME634153
-
C00163
0.6479798
-
Prostaglandin A2/B2
-
ME634195
-
C05953
1.756207
-
Prostaglandin D2/Thromboxane A2 (isobars)
-
ME634196
-
C00696
2.864727
-
Prostaglandin E3/D3 (isobars)
-
ME634198
-
C13802
2.418223
-
Prostaglandin F2alpha/beta/D1 (isobars)
-
ME634197
-
C00639
1.738069
-
Taurochenodeoxycholate/Tauroursodeoxycholate
-
ME634189
-
C05465
1.750558
-
Thiosulfate
-
ME634160
-
C00320
0.5640066
-
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