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Return to study ST001953 main page
Analysis: None (Direct infusion) NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
11b-Hydroxyprogesterone
11beta-Hydroxyprogesterone
ME450819
-
C05498
-
331.1913
13-L-Hydroperoxylinoleic acid
13S-HpODE
ME450811
-
C04717
-
311.2232
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-...
-
ME450828
-
C03033
-
381.1554
2,3-Epoxyaflatoxin B1
-
ME450817
-
C16756; C19586
-
327.0508
2-Methoxy-estradiol-17b 3-glucuronide
2-Methoxy-estradiol-17beta 3-glucuronide
ME450844
-
C11131
-
477.2121
2-Phenylethanol glucuronide
-
ME450803
-
C03033
-
297.0986
3,4-Dihydroxyphenylglycol
3,4-Dihydroxyphenylglycol
ME450758
-
C05576
-
169.0499
3 beta,7 alpha-Dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME450833
-
C17335
-
431.317
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME450745
-
C00632
-
152.034
3-O-Sulfogalactosylceramide (d18:1/16:0)
-
ME450886
-
C06125
-
778.5151
3-O-Sulfogalactosylceramide (d18:1/18:0)
-
ME450889
-
C06125
-
806.5463
4,6-Dihydroxyquinoline
4,6-Dihydroxyquinoline
ME450749
-
C05639
-
160.0398
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME450732
-
C02946; C04076
-
144.0665
4-Coumaryl alcohol
4-Coumaryl alcohol
ME450741
-
C02646
-
149.0608
4-Methyl-2-oxopentanoate
Ketoleucine
ME450717
-
C00233; C06102
-
129.0555
5-Aminolevulinic acid
5-Amino-levulinic acid
ME450718
-
C00430; C01110; C01157; C01165; C03440; C05147
-
130.051
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME450774
-
C05635; C16596
-
190.0524
5-L-Glutamyl-L-alanine
gamma-Glutamylalanine
ME450786
-
C03740
-
217.0831
6-Dehydrotestosterone glucuronide
-
ME450838
-
C03033
-
461.216
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate
Vanylglycol
ME450769
-
C05594
-
183.0661
8,11,14-Eicosatrienoic acid
Dihomo-gamma-linolenic acid
ME450809
-
C03242
-
305.2487
9,10-Epoxyoctadecenoic acid
9(10)-EpOME
ME450802
-
C14825; C14826
-
295.228
Acetyl-Asp
-
ME450762
-
C01042; C01045
-
174.0405
Acetyl-Glu
N-Acetylglutamic acid
ME450771
-
C00624
-
188.056
Aconitate
trans-Aconitic acid
ME450760
-
C00417
-
173.0088
ADP
ADP
ME450832
-
C00008; C00054; C00361
-
426.0224
Alanine
Alanine
ME450688
-
C00041; C00099; C00213
-
88.0403
All-trans-retinoic acid
Retinoic acid
ME450804
-
C00777; C15493
-
299.202
Alpha-Linolenic acid
alpha-Linolenic acid
ME450798
-
C06426; C06427
-
277.2175
Aminoadipate
Aminoadipic acid
ME450750
-
C00956
-
160.0617
Aminobutanoic acid (ABA)
-
ME450692
-
C00334; C01026; C01205; C02356; C03284
-
102.0559
AMP
AMP
ME450822
-
C00020; C00362
-
346.0561
Androsterone glucuronide
Androsterone 3-glucuronide
ME450840
-
C11135; C11136
-
465.2494
Arachidic acid
Arachidic acid
ME450812
-
C06425
-
311.2958
Arachidonic acid
Arachidonic acid
ME450808
-
C00219
-
303.2333
Arginine
Arginine
ME450761
-
C00062; C00792
-
173.1042
Argininosuccinic acid
Argininosuccinic acid
ME450801
-
C03406
-
289.1146
Asparagine
Asparagine
ME450720
-
C00152; C02642
-
131.0461
Aspartate
Aspartic acid
ME450723
-
C00049; C00402
-
132.0302
Aspartate semialdehyde
Aspartate-semialdehyde
ME450705
-
C03508
-
116.0353
ATP
ATP
ME450851
-
C00002; C00286
-
505.9886
Benzoate
Benzoic acid
ME450711
-
C00180
-
121.0295
Butynal
Butynal
ME450680
-
C00089
-
67.0187
C10:3
CAR 10:3
ME450754
-
C11924
-
165.0919
C14:0
CAR 14:0
ME450791
-
C06424
-
227.2016
C15:5
3-Nonaprenyl-4-hydroxybenzoate
ME450773
-
C03885
-
189.092
C16 Cer
Cer 18:1;O2/16:0
ME450854
-
C00195
-
536.5047
C18:1 Cer
Cer 18:1;O2/18:1
ME450856
-
C00195
-
562.5197
C18:2
CAR 18:2
ME450799
-
C01595
-
279.2336
C18 Cer
Cer 18:1;O2/18:0
ME450858
-
C00195
-
564.5355
C20 Cer
Cer 18:1;O2/20:0
ME450863
-
C00195
-
592.5667
C22:6
CAR 22:6
ME450818
-
C06429
-
327.2331
C3:0 (Propionic acid)
Propionic acid
ME450683
-
C00163; C00937
-
73.0292
C4:0 (Butyric acid)
Butyric acid
ME450687
-
C00246
-
87.045
Carbamoyl phosphate
Carbamoylphosphate
ME450728
-
C00169
-
139.9758
Catechol
Pyrocatechol
ME450697
-
C00530
-
109.0294
CDP
CDP
ME450830
-
C00112
-
402.0103
CDP-ethanolamine
CDP-Ethanolamine
ME450836
-
C00570
-
445.0534
CE(19:0)
CE 19:0
ME450867
-
C02530
-
665.6251
Chenodeoxycholic acid
Chenodeoxycholic acid
ME450829
-
C02528
-
391.2862
Cholesterol glucuronide
Cholesterol glucuronide
ME450855
-
C03033
-
561.3799
Cholesterol sulfate
Cholesterol sulfate
ME450841
-
C18043
-
465.304
cis-beta-D-Glucosyl-2-hydroxycinnamate
-
ME450816
-
C05839
-
325.0934
Citrulline
Citrulline
ME450763
-
C00327
-
174.088
CMP
CMP
ME450814
-
C00055
-
322.045
Cortisol
Cortisol
ME450824
-
C00735; C01124; C05469
-
361.2034
Coumarate
cis-p-Coumaric acid
ME450751
-
C00166; C02763; C05838
-
163.0382
CTP
CTP
ME450846
-
C00063
-
481.9766
Cycloheptanecarboxylic acid
Cycloheptanecarboxylic acid
ME450730
-
C16648
-
141.0921
Cys-Gly
Cys-Gly
ME450765
-
C01419
-
177.0329
Cysteic acid
Cysteic acid
ME450757
-
C00506
-
167.9975
D-2-Hydroxyisocaproate
D-Leucic acid
ME450721
-
C06103
-
131.0717
Decanoic acid (FA10:0)
Capric acid
ME450759
-
C01571
-
171.1389
Deoxycholic acid 3-glucuronide
Deoxycholic acid 3-glucuronide
ME450860
-
C03033
-
567.3169
Deoxyhexose
Fucose
ME450752
-
C01019
-
163.0612
Deoxyribose
Deoxyribose
ME450725
-
C01801
-
133.0505
D-Glyceric acid
Glyceric acid
ME450695
-
C00258
-
105.0191
Dihydrouracil
Dihydrouracil
ME450701
-
C00429; C02512
-
113.0355
Disaccharide
-
ME450821
-
C00089; C00208; C00243; C00252; C01083; C01235; C05400; C05402
-
341.1093
Dodecanoic acid (FA12:0)
Lauric acid
ME450780
-
C02679
-
199.1704
dTDP-hexose
-
ME450857
-
C00842; C02097
-
563.0678
Dyspropterin
-
ME450792
-
C03684
-
236.0785
Eicosapentaenoic acid
Eicosapentaenoic acid
ME450806
-
C02075; C06428
-
301.2176
Estrone glucuronide
Estrone 3-glucuronide
ME450837
-
C11133
-
445.1865
Ethanolamine phosphate
Phosphoethanolamine
ME450729
-
C00346
-
140.0118
Ethylene glycol
Ethylene glycol
ME450679
-
C01380
-
61.0291
Fumarate
Fumaric acid
ME450703
-
C00122
-
115.0038
GDP
GDP
ME450835
-
C00035
-
442.0173
GDP-L-fucose
GDP-L-fucose
ME450862
-
C00325
-
588.0744
Glucosylceramide (d18:1/16:0)
-
ME450872
-
C01190; C02686
-
698.5562
Glutamate
Glutamic acid
ME450736
-
C00025; C00217; C05938
-
146.046
Glutamine
Glutamine
ME450733
-
C00064; C00819
-
145.0619
Glutathione
Glutathione
ME450810
-
C00051
-
306.077
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME450797
-
C00670
-
256.0949
Glycerylphosphorylethanolamine
sn-Glycero-3-phosphoethanolamine
ME450785
-
C01233
-
214.0487
Glycine
Glycine
ME450684
-
C00037
-
74.0246
Glycolate
Glycolic acid
ME450685
-
C00160
-
75.0087
Glyoxylic acid
Glyoxylic acid
ME450682
-
C00048
-
72.993
GMP
GMP
ME450825
-
C00144; C18239
-
362.0513
GTP
GTP
ME450853
-
C00044
-
521.9833
Guanosine
Guanosine
ME450800
-
C00387
-
282.085
Hexonic acid
Gluconic acid
ME450778
-
C00257; C00800
-
195.0511
Hexosamine
Glucosamine
ME450766
-
C00329
-
178.0711
Hexose
Hexose
ME450767
-
C00031; C00137; C00159; C00221; C00267; C00984; C02336
-
179.0559
Hexuronic acid; Ascorbate
Hexuronic acid
ME450764
-
C00072; C02670
-
175.0243
Histidine
Histidine
ME450746
-
C00135
-
154.0624
Hydroxybutanoic acid
-
ME450693
-
C01089; C05984; C06001
-
103.0397
Hydroxyglutarate
2-Hydroxyglutaric acid
ME450737
-
C02266; C02630
-
147.0299
Hypotaurine
Hypotaurine
ME450696
-
C00519
-
108.0125
Hypoxanthine
Hypoxanthine
ME450726
-
C00262
-
135.0304
Indole-5,6-quinone
Indole-5,6-quinone
ME450735
-
C05579
-
146.0256
Indoleacetaldehyde
Indoleacetaldehyde
ME450747
-
C00637
-
158.0605
(Iso)Citrate
Isocitric acid
ME450775
-
C00158; C00311
-
191.0196
(Iso)Leucine
Isoleucine
ME450719
-
C00123; C00407
-
130.0873
Itaconate
Itaconic acid
ME450716
-
C00490
-
129.0193
Ketovaline
Ketoisovaleric acid
ME450704
-
C00141
-
115.04
L-Acetylcarnitine
CAR 2:0
ME450781
-
C02571
-
202.1087
Lactate
Lactic acid
ME450689
-
C00184; C00186; C00256; C01013
-
89.0243
L-Cystathionine
Cystathionine
ME450790
-
C02291
-
221.0602
Leukotriene A4
LTA4
ME450813
-
C00909
-
317.2131
Leukotriene B4
LTB4
ME450820
-
C02165; C04853; C05356; C05965; C05966; C14781; C14812; C14813; C14823
-
335.2246
Lipoamide
Lipoamide
ME450783
-
C00248
-
204.0525
LPA(0:0/18:1(9Z))
LPA 0:0/18:1(9Z)
ME450834
-
C00416
-
435.2513
Lysine
Lysine
ME450734
-
C00047
-
145.0981
LysoPC(15:0)
LPC 15:0
ME450845
-
C04230
-
480.3097
LysoPC(16:0)
LPC 16:0
ME450848
-
C04230
-
494.324
LysoPC(17:0)
LPC 17:0
ME450852
-
C04230
-
508.3404
Malate
Malic acid
ME450724
-
C00149
-
133.0142
Mercaptopyruvic acid
Mercaptopyruvic acid
ME450709
-
C00957
-
118.9804
Methionine
Methionine
ME450739
-
C00073
-
148.0442
Methyl-Tyr
-
ME450777
-
C16586
-
194.0822
Mevalonate
Mevalonic acid
ME450738
-
C00418
-
147.0662
N-Acetylaspartylglutamic acid
N-Acetyl-Asp-Glu
ME450807
-
C12270
-
303.0842
N-Acetylgalactosamine
N-Acetylgalactosamine
ME450789
-
C00140; C00645; C01074
-
220.083
N-Acetylimidazole
N-Acetylimidazole
ME450698
-
C05130
-
109.0407
Nicotinamide
Niacinamide
ME450712
-
C00153
-
121.0406
Octanoic acid
Caprylic acid
ME450731
-
C06423; C07185
-
143.1079
Ornithine
Ornithine
ME450722
-
C00077; C00515
-
131.0824
Orotidylic acid
Orotidylic acid
ME450826
-
C01103
-
367.0192
Oxalosuccinic acid
Oxalosuccinic acid
ME450772
-
C05379
-
189.0046
Oxidized glutathione
Oxidized glutathione
ME450865
-
C00127
-
611.1441
Oxitriptan
5-Hydroxy-tryptophan
ME450788
-
C00643
-
219.0788
Oxobutanoic acid
-
ME450691
-
C00109; C00164; C00232; C00349; C06002
-
101.0243
Oxoproline
Oxoproline
ME450715
-
C01879; C04281; C04282
-
128.0352
PA(16:0/18:1(11Z))
PA 16:0/18:1(11Z)*
ME450868
-
C00416
-
673.4807
Palmitaldehyde
Palmitaldehyde
ME450793
-
C00517
-
239.2381
Palmitoleic acid
Palmitoleic acid
ME450796
-
C08362
-
253.2177
Pantothenic acid
Pantothenic acid
ME450787
-
C00864
-
218.1034
PC(14:0/15:0)
PC 14:0/15:0*
ME450871
-
C00157; C00350
-
690.506
PC(14:0/18:1(11Z))
PC 14:0/18:1(11Z)
ME450878
-
C00157; C00350
-
730.5396
PC(14:0/18:2(9Z,12Z))
PC 14:0/18:2(9Z,12Z)*
ME450877
-
C00157; C00350
-
728.5232
PC(14:0/20:2(11Z,14Z))
PC 14:0/20:2(11Z,14Z)*
ME450884
-
C00157; C00350
-
756.5543
PC(14:0/20:3(5Z,8Z,11Z))
PC 14:0/20:3(5Z,8Z,11Z)*
ME450883
-
C00157
-
754.5402
PC(14:0/P-18:1(11Z))
-
ME450875
-
C00157
-
714.5436
PC(14:1(9Z)/22:2(13Z,16Z))
PC 14:1(9Z)/22:2(13Z,16Z)*
ME450887
-
C00157
-
782.5698
PC(14:1(9Z)/P-18:1(11Z))
-
ME450874
-
C00157
-
712.5288
PC(15:0/18:3(6Z,9Z,12Z))
PC 15:0/18:3(6Z,9Z,12Z)*
ME450882
-
C00157; C00350
-
740.5226
PC(15:0/18:4(6Z,9Z,12Z,15Z))
PC 15:0/18:4(6Z,9Z,12Z,15Z)*
ME450881
-
C00157; C00350
-
738.5069
PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME450888
-
C00157; C00350
-
790.5398
PC(18:4(6Z,9Z,12Z,15Z)/P-16:0)
-
ME450880
-
C00157
-
736.5283
PC(22:0/P-18:1(11Z))
-
ME450890
-
C00157
-
826.6704
PE(14:0/18:2(9Z,12Z))
PE 14:0/18:2(9Z,12Z)*
ME450870
-
C00350
-
686.4758
PE(14:0/20:3(5Z,8Z,11Z))
PE 14:0/20:3(5Z,8Z,11Z)*
ME450873
-
C00350
-
712.4914
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE 14:0/22:5(4Z,7Z,10Z,13Z,16Z)*
ME450879
-
C00350
-
736.4917
PE(14:0/P-18:0)
-
ME450869
-
C00350; C04756
-
674.513
PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME450885
-
C00350
-
762.5076
PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))
-
ME450876
-
C00350
-
722.5122
Pentose
Galacturonic acid
ME450740
-
C00121; C00181; C00259; C00310; C00312
-
149.0457
Perillyl aldehyde
Perillyl aldehyde
ME450742
-
C02576
-
149.0972
Phenylacetaldehyde
Phenylacetaldehyde
ME450710
-
C00601
-
119.0502
Phenyl acetate
Phenyl acetate
ME450727
-
C03765; C07086
-
135.0451
Phenylacetylglycine
Phenylacetylglycine
ME450776
-
C01586; C05598; C16587; C16595
-
192.0666
Phenylalanine
Phenylalanine
ME450753
-
C00079
-
164.0717
Phosphocreatine
Phosphocreatine
ME450784
-
C02305
-
210.0289
Phosphoserine
Phosphoserine
ME450770
-
C01005
-
184.0017
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME450744
-
C00642; C04043; C05852
-
151.0403
Pregnanediol-3-glucuronide
Pregnanediol-3-glucuronide
ME450849
-
C03033
-
495.2975
Proline
Proline
ME450702
-
C00148; C00763; C18170
-
114.0561
Propenoic acid C3:1
Pyruvaldehyde
ME450681
-
C00546
-
71.0138
Propylhydroxypentanoic acid
-
ME450748
-
C16649; C16650; C16651
-
159.1027
Prostaglandin E2
PGE2
ME450823
-
C00427; C00584; C00696; C01312; C02198; C04853
-
351.2185
Prostaglandin G2
PGG2
ME450827
-
C05956
-
367.2132
Pyridoxal
Pyridoxal
ME450755
-
C00250
-
166.0505
Pyrroline carboxylic acid
Pyrrolinecarboxylic acid
ME450700
-
C03564
-
112.0405
Pyruvate
Pyruvic acid
ME450686
-
C00022; C00222
-
87.0085
Retinoyl b-glucuronide
Retinoyl beta-glucuronide
ME450843
-
C11061
-
475.233
Serine
Serine
ME450694
-
C00065; C00740
-
104.0351
Sphinganine
Sphinganine
ME450805
-
C00836
-
300.2907
Stachyose
Stachyose
ME450866
-
C01613
-
665.2142
Succinate
Succinic acid
ME450707
-
C00042; C02170
-
117.0193
Taurine
Taurine
ME450713
-
C00245
-
124.0073
Testosterone glucuronide
Testosterone glucuronide
ME450839
-
C03033; C11134
-
463.2333
Threonine
Threonine
ME450708
-
C00188
-
118.051
Thymine
Thymine
ME450714
-
C00178; C02835
-
125.0348
Triose
-
ME450850
-
C00492; C00721; C05404
-
503.162
Tryptophan
Tryptophan
ME450782
-
C00078
-
203.0825
Tyrosine
Tyrosine
ME450768
-
C00082
-
180.0665
Ubiquinone-1
Ubiquinone-1
ME450795
-
C00399
-
249.1139
UDP
UDP
ME450831
-
C00015
-
402.995
UDP-acetyl-hexosamine
-
ME450864
-
C00043; C00203
-
606.0738
UDP-hexose
UDP-hexose
ME450859
-
C00029; C00052
-
565.0473
UMP
UMP
ME450815
-
C00105; C01168
-
323.0281
Uracil
Uracil
ME450699
-
C00106
-
111.0193
Urate
Uric acid
ME450756
-
C00366
-
167.0208
Uridine
Uridine
ME450794
-
C00299; C02067
-
243.0626
Uridine diphosphate glucuronic acid
UDP-glucuronic acid
ME450861
-
C00167
-
579.0268
UTP
UTP
ME450847
-
C00075
-
482.9617
Valerolactone
Glutaral
ME450690
-
C12518
-
99.045
Valine; Betaine
Valine
ME450706
-
C00183; C00719
-
116.0719
Vanillylmandelic acid
Vanillylmandelic acid
ME450779
-
C05584
-
197.0466
Vitamin K1 2,3-epoxide
-
ME450842
-
C05849
-
465.3372
Xanthine
Xanthine
ME450743
-
C00385
-
151.0262
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