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Return to study ST001644 main page
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid
ME387821
-
-
1.7881
187.1330
1-3-Bisphosphoglycerate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME387769
-
-
0.5326
264.9520
1-4-beta-D-Xylan
-
ME387791
-
-
0.65
131.0338
2/3-Phospho-D-glycerate
2-Phosphoglyceric acid
ME387770
-
-
0.5760
182.9961
2-Hydroxyglutarate/Citramalate
2-Hydroxyglutaric acid
ME387785
-
-
0.5851
147.0287
2-Methyleneglutarate
-
ME387819
-
-
0.6518
143.0339
2-Oxoglutarate
2-Oxoglutaric acid
ME387779
-
-
0.5908
145.0130
5-6-Dihydrothymine
Dihydrothymine
ME387761
-
-
0.65
127.0499
(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acid
EPA
ME387817
-
-
2.3785
301.2171
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...
DPA
ME387818
-
-
2.5459
329.2486
(8Z-11Z-14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME387816
-
-
2.6830
305.2485
ADP
ADP
ME387753
-
-
0.59
426.0223
alpha-D-Ribose 1-phosphate
Ribose 1-phosphate
ME387787
-
-
0.59
229.0114
AMP
AMP
ME387754
-
-
0.64
346.0538
Ascorbate
Vitamin C
ME387788
-
-
0.62
175.0239
ATP
ATP
ME387752
-
-
0.59
505.9883
Butanoic acid
Butyric acid
ME387797
-
-
0.6678
87.0438
Citrate
Citric acid
ME387778
-
-
0.5837
191.0187
D-Arabitol
Arabitol
ME387777
-
-
0.6558
151.0603
Decanoic acid (caprate)
Capric acid
ME387802
-
-
2.1604
171.1380
Dehydroascorbate
Dehydroascorbic acid
ME387789
-
-
0.59
173.0081
D-glucono-1,5-lactone
Gluconolactone
ME387820
-
-
0.6699
177.0397
D-Glucose
Glucose
ME387766
-
-
0.6515
179.0554
D-Glucose 6-phosphate
Glucose 6-phosphate
ME387767
-
-
0.5902
259.0223
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME387768
-
-
0.6092
168.9893
Diphosphate
Pyrophosphate
ME387765
-
-
0.60
176.9347
Docosahexaenoic acid
Docosahexaenoic acid
ME387814
-
-
2.4410
327.2333
Dodecanedioic acid
Dodecanedioic acid
ME387815
-
-
1.7552
229.1445
Dodecanoic acid
Lauric acid
ME387803
-
-
2.3161
199.1699
D-Rhamnose
Rhamnose
ME387776
-
-
0.6731
163.0603
D-Ribose
Ribose
ME387775
-
-
0.6508
149.0446
Eicosapentaenoic acid
Eicosapentaenoic acid
ME387813
-
-
2.3785
301.2171
Eicosatetraenoic acid
Eicosatetraenoic acid
ME387812
-
-
2.5259
303.2330
Fumarate
Fumaric acid
ME387781
-
-
0.6043
115.0023
GDP
GDP
ME387755
-
-
0.59
442.0162
Heptanoic acid
Heptylic acid
ME387799
-
-
1.8173
129.0908
Hexadecanoic acid
Palmitic acid
ME387805
-
-
2.8735
255.2326
Hexadecenoic acid
Hexadecenoic acid
ME387808
-
-
2.5662
253.2170
Hexanoic acid (caproate)
Caproic acid
ME387798
-
-
1.7591
115.0752
Indole
Indole
ME387795
-
-
1.7189
116.0495
Inosine
Inosine
ME387759
-
-
0.64
267.0726
Itaconate
Itaconic acid
ME387784
-
-
0.5896
129.0180
Lactate
Lactic acid
ME387772
-
-
0.6281
89.0229
Linoleate
Linoleic acid
ME387810
-
-
2.6153
279.2328
Malate
Malic acid
ME387782
-
-
0.5902
133.0129
Maltose
Maltose
ME387773
-
-
0.6529
341.1091
Mannitol
Mannitol
ME387774
-
-
0.6564
181.0700
N-Acetylneuraminate
N-Acetylneuraminic acid
ME387790
-
-
0.62
308.0990
Nicotinate ribonucleotide
Nicotinic acid mononucleotide
ME387763
-
-
0.64
335.0337
Nonanoic acid (pelargonate)
Pelargonic acid
ME387801
-
-
2.0910
157.1223
N-Succinyl-L-glutamate 5-semialdehyde
-
ME387793
-
-
0.64
230.0643
Octadecanoic acid
Stearic acid
ME387806
-
-
3.3593
283.2641
Octadecatrienoic acid
Octadecatrienoic acid
ME387811
-
-
2.4333
277.2172
Octadecenoic acid
Octadecenoic acid
ME387809
-
-
2.9099
281.2482
Octanoic acid (caprylate)
Caprylic acid
ME387800
-
-
2.0093
143.1065
Oxaloacetate
Oxaloacetic acid
ME387783
-
-
0.5831
130.9979
Oxalosuccinate
Oxalosuccinic acid
ME387822
-
-
1.7129
189.0061
Phosphate
Phosphoric acid
ME387764
-
-
0.61
96.9682
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME387762
-
-
1.73
247.0449
Pyruvate
Pyruvic acid
ME387771
-
-
0.5902
87.0073
Sedoheptulose 7-phosphate
Sedoheptulose 7-phosphate
ME387786
-
-
0.61
289.0365
Sphinganine 1-phosphate
Sphinganine 1-phosphate
ME387796
-
-
3.8659
380.2575
Succinate
Succinic acid
ME387780
-
-
0.5917
117.0179
Taurine
Taurine
ME387794
-
-
0.6456
124.0060
Tetradecanoic acid
Myristic acid
ME387804
-
-
2.5335
227.2012
Tetradecenoic acid
Tetradecenoic acid
ME387807
-
-
2.3461
225.1856
Thymidine
Thymidine
ME387756
-
-
0.65
241.0814
UDP
UDP
ME387757
-
-
0.76
402.9997
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME387792
-
-
0.67
606.0746
UMP
UMP
ME387758
-
-
0.62
323.0285
Urate
Uric acid
ME387760
-
-
0.64
167.0201
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Oxo-7-methylthioheptanoic acid
2-Oxo-7-methylthioheptanoic acid
ME387914
-
-
0.6228
191.0762
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME387867
-
-
0.66
146.0811
5-6-Dihydrouracil
Dihydrouracil
ME387871
-
-
0.6876
115.0506
5-Hydroxyisourate
5-Hydroxyisouric acid
ME387852
-
-
0.65
185.0319
(5-L-Glutamyl)-L-glutamine
gamma-Glutamylglutamine
ME387857
-
-
0.66
276.1183
5-Oxoproline
Pyroglutamic acid
ME387855
-
-
0.66
130.0499
acyl-C10:1 (O-Decenoyl-L-carnitine)
CAR 10:1
ME387894
-
-
1.9290
314.2320
acyl-C10 (O-Decanoyl-L-carnitine)
CAR 10:0
ME387893
-
-
1.9914
316.2480
acyl-C12:1 (O-dodecenoyl-carnitine)
CAR 12:1
ME387896
-
-
2.2381
342.2636
acyl-C12 (O-dodecanoyl-carnitine)
CAR 12:0
ME387895
-
-
2.6575
344.2791
acyl-C14:1 (Tetradecenoyl Carnitine)
CAR 14:1
ME387898
-
-
2.9483
370.2946
acyl-C14 (O-tetradecanoyl-L-carnitine)
CAR 14:0
ME387897
-
-
3.4498
372.3101
acyl-C16
-
ME387899
-
-
2.0778
400.3413
acyl-C16:1 (Hexadecenoyl-carnitine)
CAR 16:1
ME387900
-
-
3.6130
398.3259
acyl-C18:1 (O-octadecenoyl-L-carnitine)
CAR 18:1
ME387902
-
-
2.2497
426.3567
acyl-C18:2 (Linoleoyl-CoA)
Linoleoyl-CoA
ME387903
-
-
3.2899
424.3408
acyl-C18 (Octadecanoyl-L-carnitine)
CAR 18:0
ME387901
-
-
3.1572
428.3724
acyl-C2
-
ME387882
-
-
0.6873
204.1230
acyl-C20:4
CAR 20:4
ME387904
-
-
3.6340
448.3418
acyl-C3
-
ME387883
-
-
0.6904
218.1386
acyl-C4
-
ME387884
-
-
1.7128
232.1541
acyl-C4-OH (Hydroxybutyrylcarnitine)
CAR 4:0;OH
ME387885
-
-
1.7367
248.1480
acyl-C5
CAR 5:0
ME387886
-
-
1.7454
246.1698
acyl-C5:1 (Tiglylcarnitine)
CAR 5:1
ME387887
-
-
1.7324
244.1542
acyl-C5-OH
CAR 5:0;OH
ME387888
-
-
1.0943
262.1642
acyl-C6-DC
CAR DC6:0
ME387890
-
-
1.7305
290.1601
acyl-C6 (hexanoyl-l-carnitine)
CAR 6:0
ME387889
-
-
1.7840
260.1855
acyl-C8:1 (octenoyl-l-carnitine)
CAR 8:1
ME387892
-
-
1.8216
286.2010
acyl-C8 (L-octanoylcarnitine
CAR 8:0
ME387891
-
-
1.8684
288.2166
Adenine
Adenine
ME387845
-
-
0.68
136.0618
Adenosine
Adenosine
ME387844
-
-
0.71
268.1035
Bilirubin
Bilirubin
ME387907
-
-
1.9267
585.2696
Biliverdin
Biliverdin
ME387906
-
-
1.9941
583.2541
Choline
Choline
ME387880
-
-
0.6544
104.1074
cis-p-Coumarate
-
ME387910
-
-
0.6954
165.0545
Creatine
Creatine
ME387865
-
-
0.67
132.0771
Creatinine
Creatinine
ME387866
-
-
0.66
114.0664
Cytidine
Cytidine
ME387848
-
-
1.77
244.0959
Dimethylglycine
Dimethylglycine
ME387859
-
-
0.67
104.0711
Ectoine
Ectoine
ME387877
-
-
0.6783
143.0814
Ergothioneine
Ergothioneine
ME387908
-
-
0.6812
230.0957
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME387856
-
-
0.68
219.0976
Glutathione
Glutathione
ME387854
-
-
0.68
308.0908
glycine
Glycine
ME387830
-
-
0.67
76.0401
GMP
GMP
ME387846
-
-
0.68
364.0643
Guanidinoacetate
Guanidoacetic acid
ME387869
-
-
0.65
118.0615
Guanine
Guanine
ME387847
-
-
0.69
152.0543
Hypotaurine
Hypotaurine
ME387872
-
-
0.6566
110.0273
Hypoxanthine
Hypoxanthine
ME387850
-
-
0.69
137.0458
IMP
IMP
ME387849
-
-
0.68
349.0534
Indoxyl
Indoxyl
ME387874
-
-
2.1649
132.6187
kynurenine
Kynurenine
ME387875
-
-
1.4000
209.0917
L-alanine
Alanine
ME387823
-
-
0.66
90.0557
L-arginine
Arginine
ME387824
-
-
0.65
175.1190
L-asparagine
Asparagine
ME387825
-
-
0.66
133.0607
L-aspartate
Aspartic acid
ME387826
-
-
0.67
134.0448
L-Carnitine
Carnitine
ME387881
-
-
0.6579
162.1123
L-Citrulline
Citrulline
ME387862
-
-
0.66
176.1027
L-cysteine
Cysteine
ME387827
-
-
0.66
122.0273
L-cystine
Cystine
ME387843
-
-
0.66
241.0302
L-glutamate
Glutamic acid
ME387828
-
-
0.66
148.0605
L-glutamine
Glutamine
ME387829
-
-
0.66
147.0762
L-histidine
Histidine
ME387831
-
-
0.61
156.0768
L-Homocysteine
Homocysteine
ME387858
-
-
0.69
136.0428
L-isoleucine
Isoleucine
ME387833
-
-
0.97
132.1019
L-leucine
Leucine
ME387832
-
-
0.71
132.1018
L-lysine
Lysine
ME387834
-
-
0.61
147.1126
L-methionine
Methionine
ME387835
-
-
0.69
150.0582
L-Methionine S-oxide
Methionine sulfoxide
ME387873
-
-
0.8030
166.0532
L-phenylalanine
Phenylalanine
ME387836
-
-
1.42
166.0861
L-proline
Proline
ME387837
-
-
0.67
116.0709
L-serine
Serine
ME387838
-
-
0.65
106.0503
L-threonine
Threonine
ME387839
-
-
0.65
120.0657
L-tryptophan
Tryptophan
ME387840
-
-
1.72
205.0970
L-tyrosine
Tyrosine
ME387841
-
-
0.69
182.0807
L-valine
Valine
ME387842
-
-
0.69
118.0866
Methylenediurea
Methylenediurea
ME387909
-
-
0.6659
133.0739
N6-Methyl-L-lysine
N(6)-Methyllysine
ME387911
-
-
0.6162
161.1285
N-Acetylornithine
N-Acetylornithine
ME387868
-
-
0.68
175.1075
N-Amidino-L-aspartate
Guanidinosuccinic acid
ME387913
-
-
1.0033
176.0656
Nicotinamide
Niacinamide
ME387853
-
-
0.81
123.0556
Nicotinic acid
Nicotinic acid
ME387905
-
-
0.5917
124.0406
N-Methylethanolamine phosphate
N-Methylethanolamine phosphate
ME387878
-
-
0.6489
156.0420
Ornithine
Ornithine
ME387861
-
-
0.61
133.0975
Pantothenol
Pantothenol
ME387870
-
-
1.6600
220.1176
Pyridoxamine
Pyridoxamine
ME387912
-
-
0.6186
169.0959
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME387860
-
-
0.65
385.1206
Serotonin
Serotonin
ME387876
-
-
0.8773
177.1023
Spermidine
Spermidine
ME387863
-
-
0.59
146.1651
Spermine
Spermine
ME387864
-
-
0.58
203.2227
Sphingosine
Sphingosine
ME387879
-
-
2.6176
300.2891
Xanthine
Xanthine
ME387851
-
-
0.69
153.0405
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