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Return to study ST002471 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
Cadaverine
Cadaverine
ME583739
-
-
9.48
103.1229
Aminoisobutyric acid
Aminoisobutyric acid
ME583704
-
-
7.89
104.0706
Dimethylglycine
Dimethylglycine
ME583762
-
-
8.81
104.0706
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME583764
-
-
7.89
104.0706
Choline
Choline
ME583756
-
-
8.51
104.1069
Serine
Serine
ME583827
-
-
7.94
106.0499
Diethanolamine
Diethanolamine
ME583959
-
-
7.8
106.0863
Cytosine
Cytosine
ME583760
-
-
6.49
112.0505
Histamine
Histamine
ME583772
-
-
9.38
112.0869
Creatinine
Creatinine
ME583759
-
-
6.77
114.0662
Proline
Proline
ME583819
-
-
8.37
116.0706
Guanidoacetic acid
Guanidoacetic acid
ME583770
-
-
8.09
118.0611
Betaine
Betaine
ME583735
-
-
9.24
118.0862
Valine
Valine
ME583842
-
-
7.67
118.0862
Threonine
Threonine
ME583833
-
-
7.89
120.0655
Trimethylbenzene
Trimethylbenzene
ME584089
-
-
1.75
121.1012
Nicotinic acid
Nicotinic acid
ME583803
-
-
3.83
124.0394
Taurine
Taurine
ME583831
-
-
6.4
126.0219
5-Methylcytosine
5-Methylcytosine
ME583715
-
-
6.59
126.0662
1-Methylhistamine
1-Methylhistamine
ME583703
-
-
9.79
126.1026
N-methylhistamine
1-Methylhistamine
ME583806
-
-
9.79
126.1026
Valine-d8 [iSTD]
-
ME583700
-
-
7.69
126.1365
Imidazoleacetic acid
Imidazoleacetic acid
ME583778
-
-
8.31
127.0502
Nor-psi-tropine
Nor-psi-tropine
ME583810
-
-
7.79
128.107
N-Methyl-proline
N-Methyl-proline
ME583807
-
-
8.89
130.0863
Pipecolic acid
Pipecolic acid
ME583817
-
-
8.24
130.0863
N-Acetylputrescine
N-Acetylputrescine
ME584031
-
-
8.15
131.1179
Agmatine
Agmatine
ME583724
-
-
9.32
131.1291
Hydroxyproline
Hydroxyproline
ME583775
-
-
8.17
132.0655
5-Amino-levulinic acid
5-Amino-levulinic acid
ME583713
-
-
8.15
132.0656
Creatine
Creatine
ME583758
-
-
8.56
132.0767
3-Guanidinopropanoic acid
3-Guanidinopropanoic acid
ME583734
-
-
7.71
132.0768
Isoleucine
Isoleucine
ME583780
-
-
7.35
132.1019
Leucine
Leucine
ME583782
-
-
7.22
132.1019
Asparagine
Asparagine
ME583730
-
-
8.19
133.0607
Ureidopropionic acid
Ureidopropionic acid
ME583801
-
-
4.32
133.0608
Ornithine
Ornithine
ME583812
-
-
9.48
133.0971
Aspartic acid
Aspartic acid
ME583731
-
-
8.23
134.0447
Indolin-2-one
Indolin-2-one
ME583989
-
-
2.07
134.0601
3-hydroxynorvaline
3-Hydroxynorvaline
ME583883
-
-
7.74
134.0811
Hypoxanthine
Hypoxanthine
ME583776
-
-
5.11
137.0458
1-Methyl nicotinamide
1-Methyl nicotinamide
ME583878
-
-
8.46
137.071
2-Aminobenzoic acid
2-Aminobenzoic acid
ME583880
-
-
1.71
138.055
Trigonelline
Trigonelline
ME583834
-
-
9.15
138.055
Tyramine
Tyramine
ME583837
-
-
6.56
138.0914
Urocanic acid
Urocanic acid
ME583841
-
-
4.82
139.0502
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME583789
-
-
9.1
141.0658
Imidazolepropionic acid
Imidazolepropionic acid
ME583777
-
-
7.69
141.0659
L-Histidinol
L-Histidinol
ME583774
-
-
9.24
142.0975
Ectoine
Ectoine
ME583763
-
-
9.17
143.0816
5-(2-Hydroxyethyl)-4-methylthiazole
5-(2-Hydroxyethyl)-4-methylthiazole
ME583885
-
-
2.84
144.0478
Proline betaine
Proline betaine
ME583820
-
-
9.5
144.1019
N-Acetylcadaverine
N-Acetylcadaverine
ME584026
-
-
8
145.1335
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME583708
-
-
3.56
146.0812
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME583709
-
-
7.48
146.0924
3-Dehydroxycarnitine
3-Dehydroxycarnitine
ME583882
-
-
8.98
146.1175
Acetylcholine
Acetylcholine
ME583889
-
-
7.98
146.1175
Glutamine
Glutamine
ME583766
-
-
8.3
147.0764
Lysine
Lysine
ME583785
-
-
9.59
147.1128
Glutamic acid
Glutamic acid
ME583765
-
-
7.86
148.0604
O-ethyl-homoserine
O-Ethylhomoserine
ME584034
-
-
7.74
148.0968
Methionine
Methionine
ME583786
-
-
7.3
150.0583
7-Methyladenine
7-Methyladenine
ME583888
-
-
6.72
150.0775
Triethanolamine
Triethanolamine
ME584087
-
-
7.95
150.1125
S-Methylcysteine S-oxide
S-Methylcysteine S-oxide
ME583829
-
-
8.75
152.0385
guanine
Guanine
ME583771
-
-
5.64
152.0567
Acetaminophen
Acetaminophen
ME583719
-
-
2.06
152.0706
Xanthine
Xanthine
ME583843
-
-
3.88
153.0407
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME583792
-
-
4.56
153.0659
Mesalamine
-
ME584019
-
-
4.23
154.0498
N-Acetylhistamine
N-Acetylhistamine
ME583797
-
-
7.96
154.0974
Histidine
Histidine
ME583773
-
-
9.56
156.0767
5-Hydroxymethyl-4-methyluracil
5-Hydroxymethyl-4-methyluracil
ME583887
-
-
3.62
157.0608
N-Acetylvaline
N-Acetylvaline
ME584032
-
-
3.45
160.0968
Ala-Ala
Ala-Ala
ME583725
-
-
8.13
161.092
Tryptamine
Tryptamine
ME583835
-
-
6.37
161.1073
N(6)-Methyllysine
N(6)-Methyllysine
ME583793
-
-
9.89
161.1285
isoquinoline-1,5-diol
Isoquinoline-1,5-diol
ME583990
-
-
2.62
162.055
Carnitine
Carnitine
ME583741
-
-
9.04
162.1124
Gly-Ser
Gly-Ser
ME583971
-
-
8.38
163.0713
Pterin
Pterin
ME583821
-
-
5.04
164.0566
Methionine sulfoxide
Methionine sulfoxide
ME583787
-
-
8.89
166.0533
1-Methylguanine
1-Methylguanine
ME583701
-
-
5.35
166.0724
7-Methylguanine
7-Methylguanine
ME583716
-
-
6.06
166.0724
Phenylalanine
Phenylalanine
ME583815
-
-
6.97
166.0863
3-Methylxanthine
3-Methylxanthine
ME583707
-
-
3.43
167.0564
7-Methylxanthine
7-Methylxanthine
ME583717
-
-
5.52
167.0564
3-Methoxytyramine
3-Methoxytyramine
ME583884
-
-
6.63
168.1019
Uric acid
Uric acid
ME583839
-
-
4.47
169.0356
Norharmane
beta-Carboline
ME584033
-
-
6.09
169.0761
Pyridoxamine
Pyridoxamine
ME584062
-
-
9.29
169.0972
Pyridoxine
Pyridoxine
ME583823
-
-
6.25
170.0812
3-Methylhistidine
3-Methylhistidine
ME583706
-
-
10.06
170.0924
Gly-Pro
Gly-Pro
ME583970
-
-
8.97
173.0921
Pro-Gly
Pro-Gly
ME584058
-
-
8.69
173.0922
N-Acetylleucine
N-Acetylleucine
ME583798
-
-
2.83
174.1126
Phenylalanine-d8 [iSTD]
-
ME583699
-
-
6.98
174.1365
Gly-Val
Gly-Val
ME583972
-
-
7.83
175.1078
N-Acetylornithine
N-Acetylornithine
ME583799
-
-
8.65
175.1078
Val-Gly
Val-Gly
ME584104
-
-
7.98
175.1078
Arginine
Arginine
ME583729
-
-
9.36
175.119
N(6),N(6)-Dimethyl-lysine
N(6),N(6)-Dimethyl-lysine
ME583794
-
-
10.46
175.1442
N-Acetylaspartic acid
N-Acetylaspartic acid
ME584025
-
-
4.58
176.0554
Citrulline
Citrulline
ME583757
-
-
8.6
176.103
Serotonin
Serotonin
ME583828
-
-
6.54
177.1023
(R)-Salsolinol
(R)-Salsolinol
ME583825
-
-
7.23
180.102
Nicotinuric acid
Nicotinuric acid
ME583804
-
-
6.39
181.0608
Theobromine
Theobromine
ME584076
-
-
3.38
181.072
Tyrosine
Tyrosine
ME583838
-
-
7.08
182.0813
4-Pyridoxic acid
4-Pyridoxic acid
ME583710
-
-
4.27
184.0605
Choline phosphate
Choline phosphate
ME583816
-
-
10.68
184.0735
Acisoga
Acisoga
ME583721
-
-
5.9
185.1285
Pro-Ala/Ala-Pro
-
ME584057
-
-
8.43
187.1078
N1-Acetylspermidine
N1-Acetylspermidine
ME583791
-
-
9.98
188.1757
N-Acetylglutamine
N-Acetylglutamine
ME584028
-
-
7.28
189.087
N6-Acetyllysine
N6-Acetyllysine
ME583796
-
-
8.6
189.1233
Val-Ala
Val-Ala
ME583783
-
-
7.69
189.1234
Targinine
Targinine
ME583809
-
-
9.57
189.1346
N-6-Trimethyllysine
N-6-Trimethyllysine
ME583795
-
-
11.44
189.1598
Kynurenic acid
Kynurenic acid
ME583781
-
-
5.5
190.0499
N-Acetylglutamic acid
N-Acetylglutamic acid
ME584027
-
-
4.66
190.071
Homocitrulline
Homocitrulline
ME583978
-
-
8.59
190.1186
Ala-Thr/Thr-Ala
-
ME583898
-
-
8.2
191.1027
N-Methylserotonin
N-Methylserotonin
ME583808
-
-
6.55
191.1179
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME583886
-
-
2.04
192.0656
Triisopropanolamine
-
ME584088
-
-
7.42
192.1596
Ser-Ser
Ser-Ser
ME584068
-
-
8.27
193.082
Caffeine
Caffeine
ME583740
-
-
2.97
195.0879
N-acetyl-5-Aminosalicylic acid
-
ME584024
-
-
3.04
196.0605
DOPA
DOPA
ME583961
-
-
7.65
198.0762
N-Acetylhistidine
N-Acetylhistidine
ME584029
-
-
8.6
198.0849
5-Acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME583711
-
-
5.56
199.0827
tridecylamine
Tridecylamine
ME584086
-
-
6.03
200.2374
Ser-Pro/Pro-Ser
-
ME584067
-
-
8.61
203.1027
N-Acetylisoputreanine
N-Acetylisoputreanine
ME584030
-
-
8.36
203.139
Ala-Ile
Ala-Ile
ME583894
-
-
7.52
203.1391
Dimethylarginine
Dimethylarginine
ME583723
-
-
9.93
203.1503
Symmetric dimethyl-arginine
Symmetric dimethylarginine
ME583826
-
-
9.83
203.1503
D-N-Acetylgalactosamine
-
ME583960
-
-
5.67
204.0866
Asn-Ala
Asn-Ala
ME583904
-
-
8.42
204.0979
CAR 2:0
CAR 2:0
ME583742
-
-
8.88
204.123
Lys-Gly
Lys-Gly
ME584013
-
-
9.91
204.1343
Tryptophan
Tryptophan
ME583836
-
-
6.76
205.0971
Ser-Val
Ser-Val
ME584071
-
-
7.71
205.1183
Val-Ser
Val-Ser
ME584109
-
-
7.95
205.1183
Cinnamoylglycine
Cinnamoylglycine
ME583948
-
-
2.67
206.0813
Ser-Thr
Ser-Thr
ME584069
-
-
8.18
207.0976
Monoethylglycinexylidide
Monoethylglycinexylidide
ME583802
-
-
6.93
207.1492
Tetradecylamine
Tetradecylamine
ME584075
-
-
6.09
214.2528
Pro-Val
Pro-Val
ME584061
-
-
8.02
215.1389
Val-Pro
Val-Pro
ME584108
-
-
7.9
215.139
Thr-Pro
Thr-Pro
ME584082
-
-
8.38
217.1183
N-Acetylarginine
N-Acetylarginine
ME583800
-
-
8.39
217.1293
Ala-Gln
Ala-Gln
ME583891
-
-
8.61
218.1135
CAR 3:0
CAR 3:0
ME583743
-
-
8.53
218.1386
Ala-Lys
Ala-Lys
ME583895
-
-
9.83
218.1499
Ala-Glu
Ala-Glu
ME583892
-
-
7.98
219.0974
Ile-Ser
Ile-Ser
ME583984
-
-
7.64
219.1338
Ile-Ser/Ser-Leu/Leu-Ser/Thr-Val
-
ME583985
-
-
7.83
219.1339
Ser-Ile
Ser-Ile
ME584066
-
-
7.51
219.1339
Pantothenic acid
Pantothenic acid
ME583813
-
-
3.16
220.1178
5-hydroxytryptophan
5-Hydroxy-tryptophan
ME583714
-
-
6.98
221.092
Ala-Met
Ala-Met
ME583896
-
-
7.66
221.0954
Thr-Thr
Thr-Thr
ME584083
-
-
8.08
221.1131
N-Acetyl-D-galactosamine
N-Acetylgalactosamine
ME583720
-
-
5.78
222.0971
Phe-Gly
Phe-Gly
ME584048
-
-
7.51
223.1077
Cerulenin
Cerulenin
ME583946
-
-
2.78
224.1281
Ala-His
Ala-His
ME583893
-
-
9.78
227.1137
Carnosine
Carnosine
ME583755
-
-
9.55
227.1137
myristoleate
Myristoleic acid
ME583790
-
-
1.78
227.2005
Deoxycytidine
Deoxycytidine
ME583953
-
-
6.3
228.0977
Pro-hydroxyPro
Pro-hydroxyPro
ME584059
-
-
8.82
229.1182
Ile-Pro
Ile-Pro
ME583983
-
-
7.77
229.1545
Ile-Val
Ile-Val
ME583988
-
-
7.08
231.1701
Asn-Val
Asn-Val
ME583907
-
-
7.94
232.129
Val-Asn
Val-Asn
ME584100
-
-
8.23
232.129
Gly-Arg
Gly-Arg
ME583967
-
-
9.75
232.1403
CAR 4:0
CAR 4:0
ME583745
-
-
8.21
232.1542
Asp-Val
Asp-Val
ME583908
-
-
7.87
233.113
Val-Asp
Val-Asp
ME584101
-
-
7.67
233.1131
Ile-Thr
Ile-Thr
ME583986
-
-
7.65
233.1494
Thr-Ile
Thr-Ile
ME584080
-
-
7.42
233.1494
Lys-Ser
Lys-Ser
ME584016
-
-
9.71
234.1446
Didanosine
Didanosine
ME583958
-
-
5.04
237.0981
Ala-Phe
Ala-Phe
ME583897
-
-
7.32
237.1232
Anserine
Anserine
ME583728
-
-
10.69
241.1294
Cytidine
Cytidine
ME583950
-
-
6.19
244.0924
CAR 5:1
CAR 5:1
ME583923
-
-
8.06
244.1542
Lys-Pro
Lys-Pro
ME584015
-
-
10.36
244.1653
Biotin
Biotin
ME583738
-
-
4.13
245.0952
Leu-Leu
Leu-Leu
ME583993
-
-
6.74
245.1857
Ile-Asn
Ile-Asn
ME583979
-
-
7.98
246.1446
Val-Gln
Val-Gln
ME584102
-
-
8.25
246.1446
Ala-Arg
Ala-Arg
ME583890
-
-
9.69
246.1558
CAR 5:0
CAR 5:0
ME583747
-
-
7.99
246.1698
Lys-Val
Lys-Val
ME584018
-
-
9.47
246.181
Val-Lys
Val-Lys
ME584106
-
-
9.81
246.181
Val-Glu/Leu-Asp/Ile-Asp/Asp-Leu/Asp-Ile
-
ME584103
-
-
8.26
247.1287
Lenticin
Lenticin
ME583992
-
-
7.48
247.1439
Thr-Gln
Thr-Gln
ME584078
-
-
8.48
248.1238
CAR 4:0;OH
CAR 4:0;OH
ME583746
-
-
9.05
248.149
Thr-Glu
Thr-Glu
ME584079
-
-
8.08
249.108
Met-Val
Met-Val
ME584021
-
-
7.19
249.1266
Val-Met
Val-Met
ME584107
-
-
7.38
249.1266
Deoxyadenosine
Deoxyadenosine
ME583705
-
-
5.47
252.1089
Phe-Ser
Phe-Ser
ME584053
-
-
7.5
253.118
His-Pro
His-Pro
ME583976
-
-
10.05
253.1293
Daidzein
Daidzein
ME583951
-
-
1.85
255.0651
Val-His
Val-His
ME584105
-
-
9.58
255.1448
His-Val
His-Val
ME583977
-
-
9.2
255.1449
sn-Glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME583727
-
-
10.69
258.1099
N-Lauroylglycine
N-Lauroylglycine
ME583805
-
-
2.44
258.2062
Ribothymidine
Ribothymidine
ME583824
-
-
3.1
259.0923
Gln-Ile
Gln-Ile
ME583964
-
-
7.72
260.1602
Ile-Gln
Ile-Gln
ME583980
-
-
8.03
260.1602
Ile-Lys
Ile-Lys
ME583981
-
-
9.41
260.1966
Lys-Ile
Lys-Ile
ME584014
-
-
9.16
260.1966
Glu-Ile
Glu-Ile
ME583966
-
-
7.61
261.1442
Trp-Gly
Trp-Gly
ME584090
-
-
7.41
262.1183
CAR DC3:0;2Me
CAR DC3:0;2Me
ME583744
-
-
8.75
262.1282
Ser-Arg
Ser-Arg
ME584065
-
-
9.58
262.1506
Ile-Met
Ile-Met
ME583982
-
-
7.1
263.1421
Thiamine
Thiamine
ME583832
-
-
9.88
265.1115
alpha-N-Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME583814
-
-
4.81
265.118
Phe-Thr
Phe-Thr
ME584054
-
-
7.47
267.1336
Thr-Phe
Thr-Phe
ME584081
-
-
7.26
267.1336
Atenolol
Atenolol
ME583732
-
-
7.14
267.1701
Adenosine
Adenosine
ME583722
-
-
5.29
268.1039
Inosine
Inosine
ME583779
-
-
5.16
269.0878
His-Ile
His-Ile
ME583974
-
-
8.83
269.1605
Retinol
Retinol
ME584063
-
-
1.6
269.2262
Genistein
Genistein
ME583963
-
-
1.8
271.0599
(E,E)-Trichostachine_b
(E,E)-Trichostachine
ME583876
-
-
2.47
272.1278
(E,E)-Trichostachine_a
(E,E)-Trichostachine
ME583875
-
-
2.06
272.1279
Arg-Pro
Arg-Pro
ME583903
-
-
10.26
272.1714
C16 Sphingosine
C16 Sphingosine
ME583910
-
-
6.09
272.2581
Val-Arg/Val-Arg
-
ME584099
-
-
9.33
274.1871
C16 Sphinganine
C16 Sphinganine
ME583909
-
-
6.1
274.2738
Lys-Gln
Lys-Gln
ME584012
-
-
9.99
275.171
Glu-Gln
Glu-Gln
ME583965
-
-
8.34
276.1186
CAR DC5:0
CAR DC5:0
ME583748
-
-
8.52
276.1438
Thr-Arg
Thr-Arg
ME584077
-
-
9.57
276.1662
Met-Lys/Lys-Met
-
ME584020
-
-
9.32
278.1529
Venlafaxine
Venlafaxine
ME584112
-
-
6.54
278.2111
Tyr-Pro
Tyr-Pro
ME584096
-
-
7.5
279.1336
Leu-Phe
Leu-Phe
ME583994
-
-
6.74
279.1699
Phe-Ile
Phe-Ile
ME584049
-
-
6.52
279.17
Asn-Phe
Asn-Phe
ME583906
-
-
7.61
280.1293
Val-Tyr
Val-Tyr
ME584111
-
-
7.12
281.1492
Tyr-Val
Tyr-Val
ME584098
-
-
6.87
281.1493
1-Methyladenosine
1-Methyladenosine
ME583879
-
-
7.19
282.1192
N6-Methyladenosine
N6-Methyladenosine
ME584023
-
-
4.91
282.1192
Thr-Tyr
Thr-Tyr
ME584085
-
-
7.38
283.1284
Guanosine
Guanosine
ME583718
-
-
5.55
284.0987
Stearamide
Stearamide
ME584074
-
-
1.98
284.2945
Glycitein
Glycitein
ME583969
-
-
1.79
285.0755
Xanthosine
Xanthosine
ME584113
-
-
4.54
285.0826
Piperine
Piperine
ME583818
-
-
2
286.1434
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME583761
-
-
10.49
287.2437
Arg-Leu
Arg-Leu
ME583900
-
-
9.02
288.2027
CAR 8:0
CAR 8:0
ME583924
-
-
7.54
288.2166
C17 Sphinganine
C17 Sphinganine
ME583911
-
-
6.07
288.2893
Asn-Arg
Asn-Arg
ME583905
-
-
9.8
289.1615
CAR DC6:0
CAR DC6:0
ME583926
-
-
8.07
290.1595
Ser-Trp
Ser-Trp
ME584070
-
-
7.16
292.1291
Phe-Lys
Phe-Lys
ME584050
-
-
9.18
294.1808
Phe-Glu
Phe-Glu
ME584047
-
-
7.59
295.1284
Tyr-Leu
Tyr-Leu
ME584095
-
-
6.57
295.1648
Leu-Tyr
Leu-Tyr
ME583995
-
-
6.85
295.165
Phe-Met
Phe-Met
ME584051
-
-
6.81
297.1263
1-Methylguanosine
1-Methylguanosine
ME583702
-
-
5.37
298.1142
threosphingosine
-
ME583868
-
-
6.02
300.2892
Palmitoyl-EA
Palmitoyl-EA
ME584036
-
-
2.06
300.2895
13-cis-Retinoic acid
13-cis-Retinoic acid
ME583877
-
-
1.95
301.2158
CAR 9:0
CAR 9:0
ME583925
-
-
7.39
302.2321
Sphinganine
Sphinganine
ME583870
-
-
6.04
302.3048
His-Phe
His-Phe
ME583975
-
-
8.6
303.1447
Trp-Val
Trp-Val
ME584094
-
-
6.63
304.1652
Val-Trp
Val-Trp
ME584110
-
-
6.75
304.1652
Thr-Trp
Thr-Trp
ME584084
-
-
7.05
306.1442
Trp-Thr
Trp-Thr
ME584091
-
-
7.25
306.1443
Arg-Met
Arg-Met
ME583901
-
-
9.16
306.159
Lys-Tyr
Lys-Tyr
ME584017
-
-
9.18
310.1756
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME584022
-
-
5.64
312.1298
CAR 10:2
CAR 10:2
ME583916
-
-
7.57
312.2164
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME583881
-
-
5.22
313.0848
Phe-Phe
Phe-Phe
ME584052
-
-
6.47
313.1542
CAR 10:1
CAR 10:1
ME583915
-
-
7.33
314.2321
Ile-Trp
Ile-Trp
ME583987
-
-
6.41
318.1807
Phytosphingosine
Phytosphingosine
ME583869
-
-
6.14
318.2997
Arg-Phe
Arg-Phe
ME583902
-
-
8.85
322.1868
Linoleoyl-EA
Linoleoyl-EA
ME583784
-
-
2.06
324.2893
Oleoyl-EA
Oleoyl-EA
ME584035
-
-
2.06
326.3049
C20 Sphingosine
C20 Sphingosine
ME583913
-
-
5.96
328.3205
Phe-Tyr
Phe-Tyr
ME584056
-
-
6.55
329.1491
C20 Sphinganine
C20 Sphinganine
ME583912
-
-
6.03
330.3361
glycidyl linoleate
Glycidyl linoleate
ME583968
-
-
1.63
337.2732
N-Oleoyl glycine
N-Oleoyl glycine
ME583811
-
-
2.48
340.2842
CAR 12:1
CAR 12:1
ME583918
-
-
7.02
342.2633
Cer 18:1;O2/2:0
Cer 18:1;O2/2:0
ME583938
-
-
2.51
342.3001
CAR 12:0
CAR 12:0
ME583917
-
-
7.11
344.2791
Tyr-Tyr
Tyr-Tyr
ME584097
-
-
7.04
345.1439
Phe-Trp
Phe-Trp
ME584055
-
-
6.33
352.1651
C22 Sphingosine
C22 Sphingosine
ME583914
-
-
5.9
356.3519
CAR 13:0
CAR 13:0
ME583919
-
-
6.98
358.2947
Trp-Tyr
Trp-Tyr
ME584093
-
-
6.48
368.16
CAR 14:2
CAR 14:2
ME583921
-
-
7.03
368.279
CAR 14:1
CAR 14:1
ME583920
-
-
6.98
370.2947
Cer 18:1;O2/4:0
Cer 18:1;O2/4:0
ME583945
-
-
1.82
370.331
Dihydrocholesterol
Dihydrocholesterol
ME583712
-
-
1.75
371.3663
CAR 14:0
CAR 14:0
ME583749
-
-
6.96
372.3103
Cholestenone
Cholestenone
ME583947
-
-
1.77
385.3461
Trp-Trp
Trp-Trp
ME584092
-
-
6.28
391.176
Solanidine
Solanidine
ME583830
-
-
6.12
398.3412
S-Adenosylmethionine
S-Adenosylmethionine
ME584064
-
-
10.39
399.144
CAR 16:0
CAR 16:0
ME583750
-
-
6.84
400.3416
CAR 18:2
CAR 18:2
ME583753
-
-
6.81
424.3417
LPE 14:0
LPE 14:0
ME584005
-
-
6.62
426.2611
CAR 18:1
CAR 18:1
ME583752
-
-
6.76
426.3573
CAR 18:0
CAR 18:0
ME583751
-
-
6.74
428.3732
alpha-Tocopherol
alpha-Tocopherol
ME583899
-
-
1.78
431.3515
LPE 15:0
LPE 15:0
ME584006
-
-
6.58
440.2769
D-alpha-tocopherylquinone
alpha-Tocoquinone
ME583952
-
-
1.75
447.3824
CAR 20:4
CAR 20:4
ME583922
-
-
6.56
448.3418
Glycodeoxycholic acid
Glycodeoxycholic acid
ME583769
-
-
4.38
450.3211
LPE 16:1
LPE 16:1
ME584007
-
-
6.56
452.2769
LPE 16:0
LPE 16:0
ME583853
-
-
6.54
454.2924
CAR 20:0
CAR 20:0
ME583754
-
-
6.65
456.4047
Glycocholic acid
Glycocholic acid
ME583768
-
-
5.53
466.3161
LPE P-18:0 or LPE O-18:1
LPE P-18:0 or LPE O-18:1
ME584011
-
-
6.37
466.3289
LPC 14:0
LPC 14:0
ME583997
-
-
8.07
468.3083
LPE 17:0
LPE 17:0
ME584008
-
-
6.51
468.3086
LPE 18:3
LPE 18:3
ME583854
-
-
6.54
476.2747
Loperamide
Loperamide
ME583996
-
-
5.86
477.2299
LPE 18:2
LPE 18:2
ME583855
-
-
6.53
478.2927
LPE 18:1
LPE 18:1
ME583856
-
-
6.5
480.3084
LPC P-16:0 or LPC O-16:1
LPC P-16:0 or LPC O-16:1
ME583850
-
-
7.76
480.3447
LPE 18:0
LPE 18:0
ME583857
-
-
6.48
482.3241
LPC 15:0
LPC 15:0
ME583998
-
-
7.99
482.3246
LPC O-16:0
LPC O-16:0
ME584003
-
-
8.05
482.3603
LPC 16:1
LPC 16:1
ME583999
-
-
7.98
494.3239
LPC 16:0
LPC 16:0
ME583844
-
-
7.93
496.3396
LPE 20:3
LPE 20:3
ME584010
-
-
6.48
504.3061
LPE 20:1
LPE 20:1
ME584009
-
-
6.44
508.3399
LPC P-18:0 or LPC O-18:1
LPC P-18:0 or LPC O-18:1
ME583851
-
-
7.96
508.3762
LPC(P-18:0)/LPC(O-18:1)_B
LPC P-18:0 or LPC O-18:1
ME583852
-
-
7.65
508.3763
Cer 18:1;O2/14:1
Cer 18:1;O2/14:1
ME583928
-
-
1.96
508.4726
LPE 20:0
LPE 20:0
ME583858
-
-
7.87
510.3557
LPC O-18:0
LPC O-18:0
ME584004
-
-
7.92
510.3919
Cer 18:1;O2/14:0
Cer 18:1;O2/14:0
ME583927
-
-
1.91
510.4881
LPC 18:3
LPC 18:3
ME583845
-
-
7.94
518.3217
LPC 18:2
LPC 18:2
ME583846
-
-
7.92
520.3401
LPC 18:1
LPC 18:1
ME583847
-
-
7.85
522.3556
PC O-18:0 (C16-PAF)
-
ME583848
-
-
7.79
524.3712
Cer 18:1;O2/15:0
Cer 18:1;O2/15:0
ME583929
-
-
1.9
524.504
Kestose/Maltotriose
-
ME583991
-
-
7.25
527.1583
Cer 18:1;O2/16:2
Cer 18:1;O2/16:2
ME583931
-
-
1.91
534.4885
Cer 18:1;O2/16:1
Cer 18:1;O2/16:1
ME583930
-
-
1.89
536.5039
Cer 18:1;O2/16:0
Cer 18:1;O2/16:0
ME583871
-
-
1.89
538.5196
LPC 20:4
LPC 20:4
ME584002
-
-
7.8
544.338
LPC 20:3
LPC 20:3
ME584001
-
-
7.8
546.3533
LPC 20:2
LPC 20:2
ME584000
-
-
7.79
548.3717
LPC 20:1
LPC 20:1
ME583849
-
-
7.74
550.387
Cer 18:1;O2/17:1
Cer 18:1;O2/17:1
ME583933
-
-
2.04
550.5197
Cryptoxanthin
Cryptoxanthin
ME583949
-
-
1.68
552.4325
Cer 18:1;O2/17:0
Cer 18:1;O2/17:0
ME583932
-
-
1.88
552.5352
Cer 18:1;O2/18:2
Cer 18:1;O2/18:2
ME583936
-
-
1.87
562.5188
Protoporphyrin
Protoporphyrin
ME584060
-
-
1.82
563.2646
Cer 18:1;O2/18:1
Cer 18:1;O2/18:1
ME583935
-
-
1.87
564.5345
Cer 18:1;O2/18:0
Cer 18:1;O2/18:0
ME583934
-
-
1.88
566.5502
Cer 18:1;O2/19:0
Cer 18:1;O2/19:0
ME583937
-
-
1.87
580.5656
Biliverdin
Biliverdin
ME583737
-
-
2.05
583.2547
Bilirubin
Bilirubin
ME583736
-
-
1.72
585.2699
Cer 18:1;O2/20:2
Cer 18:1;O2/20:2
ME583941
-
-
1.86
590.5505
Cer 18:1;O2/20:1
Cer 18:1;O2/20:1
ME583940
-
-
1.87
592.5659
D-Urobilinogen
D-Urobilinogen
ME583962
-
-
2.04
593.333
Cer 18:1;O2/20:0
Cer 18:1;O2/20:0
ME583939
-
-
1.86
594.5814
Stercobilin
L-Urobilin
ME583840
-
-
6.77
595.3484
DG 34:2
DG 34:2
ME583874
-
-
1.65
615.4968
hemin
-
ME583973
-
-
4.94
616.1753
DG 34:1
DG 34:1
ME583873
-
-
1.64
617.5126
Cer 18:1;O2/22:2
Cer 18:1;O2/22:2
ME583943
-
-
1.85
618.5809
Cer 18:1;O2/22:0
Cer 18:1;O2/22:0
ME583942
-
-
1.84
622.612
DG 36:4
DG 36:4
ME583956
-
-
1.63
634.5391
DG 36:3
DG 36:3
ME583955
-
-
1.65
636.5546
DG 36:2
DG 36:2
ME583954
-
-
1.62
638.5704
Cer 18:1;O2/24:1
Cer 18:1;O2/24:1
ME583872
-
-
1.83
648.6277
Cer 18:1;O2/24:0
Cer 18:1;O2/24:0
ME583944
-
-
1.84
650.6428
DG 38:5
DG 38:5
ME583957
-
-
1.63
660.5555
PE 30:0
PE 30:0
ME584046
-
-
5.83
664.4899
SM 18:1;O2/14:0
SM 18:1;O2/14:0
ME583866
-
-
7.43
675.5415
PE P-34:2 or PE O-34:3
PE P-34:2 or PE O-34:3
ME583863
-
-
5.71
700.5251
SM 18:1;O2/16:1
SM 18:1;O2/16:1
ME584072
-
-
7.38
701.5572
PE P-34:1 or PE O-34:2
PE P-34:1 or PE O-34:2
ME583864
-
-
5.7
702.541
SM 18:1;O2/16:0
SM 18:1;O2/16:0
ME583867
-
-
7.36
703.5728
PE 34:2
PE 34:2
ME583862
-
-
5.76
716.5205
PC P-32:0 or PC O-32:1
PC P-32:0 or PC O-32:1
ME584042
-
-
6.81
718.5726
PC O-32:0
PC O-32:0
ME584041
-
-
6.87
720.588
SM 18:1;O2/18:3
SM 18:1;O2/18:3
ME584073
-
-
7.35
725.555
PE P-36:2 or PE O-36:3
PE P-36:2 or PE O-36:3
ME583865
-
-
5.68
728.5567
PC 32:0
PC 32:0
ME584037
-
-
6.85
734.5677
Methylguanidine
Methylguanidine
ME583788
-
-
7.04
74.0713
PC P-34:2 or PC O-34:3
PC P-34:2 or PC O-34:3
ME583861
-
-
6.77
742.5726
PC P-34:1 or PC O-34:2
PC P-34:1 or PC O-34:2
ME584044
-
-
6.82
744.5882
PC P-34:0 or PC O-34:1
PC P-34:0 or PC O-34:1
ME584043
-
-
6.82
746.6039
PC 34:3
PC 34:3
ME583859
-
-
6.85
756.5491
PC 34:2
PC 34:2
ME584039
-
-
6.81
758.5668
Glycine
Glycine
ME583767
-
-
8.19
76.0393
PC 34:1
PC 34:1
ME584038
-
-
6.8
760.5823
PC P-36:1 or PC O-36:2
PC P-36:1 or PC O-36:2
ME584045
-
-
6.79
772.6185
PC 36:3
PC 36:3
ME584040
-
-
6.78
784.5819
PC 36:2
PC 36:2
ME583860
-
-
6.77
786.5978
Putrescine
Putrescine
ME583822
-
-
9.53
89.1073
Alanine
Alanine
ME583726
-
-
8.06
90.055
beta-Alanine
beta-Alanine
ME583733
-
-
8.21
90.055
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
TG 62:3
TG 62:3
ME584320
-
-
13.79
1019.8965
Piperine
Piperine
ME584231
-
-
3.8
286.1434
sphingosine
Sphingosine
ME584243
-
-
4.4
300.2893
linoleoylethanolamide
Linoleoyl-EA
ME584167
-
-
5.01
324.2892
MG 14:0_a
MG 14:0
ME584185
-
-
4.73
325.2346
MG 14:0_b
MG 14:0
ME584186
-
-
4.82
325.2346
MG 16:1
MG 16:1
ME584187
-
-
5.1
339.2503
Cholesterol
Cholesterol
ME584140
-
-
7.59
369.3512
MG 18:2
MG 18:2
ME584189
-
-
5.11
377.2658
MG 18:0
MG 18:0
ME584188
-
-
6.04
381.2971
7-Dehydro-desmosterol
7-Dehydro-desmosterol
ME584115
-
-
7.14
383.3305
Sitosterol
Sitosterol
ME584232
-
-
8.11
397.3824
delta-Tocopherol
delta-Tocopherol
ME584144
-
-
7.54
402.3489
5beta-Cholestan-3-one (5b-coprostanone)
-
ME584114
-
-
7.87
409.3438
Solasodine
Solasodine
ME584242
-
-
3.79
414.3363
beta-tocopherol
beta-tocopherol
ME584116
-
-
7.88
416.3642
Campesterol
Campesterol
ME584119
-
-
8.14
423.3594
stigmastane-3,6-dione
-
ME584244
-
-
6.64
429.3726
LPE 16:0
LPE 16:0
ME584180
-
-
5.02
454.2925
Betulinic acid
Betulinic acid
ME584117
-
-
5.32
457.3669
Menaquinone-4
-
ME584184
-
-
7.48
467.292
LPC 14:0
LPC 14:0
ME584168
-
-
4.5
468.3088
LPE 18:2
LPE 18:2
ME584183
-
-
4.85
478.2929
LPE 18:1
LPE 18:1
ME584182
-
-
5.2
480.3086
LPE 18:0
LPE 18:0
ME584181
-
-
5.62
482.3242
LPC 16:1
LPC 16:1
ME584170
-
-
4.55
494.3265
LPC 16:0
LPC 16:0
ME584169
-
-
5.01
496.3396
LPC 17:0
LPC 17:0
ME584171
-
-
5.3
510.3555
LPC O-18:0
LPC O-18:0
ME584179
-
-
5.98
510.3919
Cer 18:1;O2/14:0
Cer 18:1;O2/14:0
ME584133
-
-
8.04
510.4881
LPC 20:3
LPC 20:3
ME584176
-
-
5.01
518.3218
LPC 18:2
LPC 18:2
ME584174
-
-
4.84
520.3399
LPC 18:1
LPC 18:1
ME584173
-
-
5.19
522.356
LPC 18:0
LPC 18:0
ME584172
-
-
5.6
524.3712
LPC 19:0
LPC 19:0
ME584175
-
-
5.92
538.3866
Cer 18:1;O2/16:0
Cer 18:1;O2/16:0
ME584134
-
-
8.54
538.5193
LPC 20:5
LPC 20:5
ME584177
-
-
4.84
542.3216
LPC 24:0
LPC 24:0
ME584178
-
-
5.19
544.3373
DG 30:0
DG 30:0
ME584145
-
-
8.9
563.4644
Cer 18:1;O2/18:0
Cer 18:1;O2/18:0
ME584135
-
-
9.02
566.5504
cholesterol b-glucoside/galactoside
-
ME584141
-
-
6.52
571.3965
DG 31:0
DG 31:0
ME584146
-
-
9.08
577.4799
DG 32:2
DG 32:2
ME584149
-
-
8.73
587.4646
DG 32:1
DG 32:1
ME584148
-
-
9.05
589.4802
DG 32:0
DG 32:0
ME584147
-
-
9.35
591.4957
Cer 18:1;O2/20:0
Cer 18:1;O2/20:0
ME584136
-
-
9.45
594.5813
DG 34:3
DG 34:3
ME584153
-
-
8.9
613.4793
DG 34:2
DG 34:2
ME584152
-
-
9.18
615.4951
DG 34:1
DG 34:1
ME584151
-
-
9.47
617.5109
DG 34:0
DG 34:0
ME584150
-
-
9.75
619.5265
CE 14:0
CE 14:0
ME584120
-
-
11.61
619.5418
C24:0 PC
PC 24:0
ME584118
-
-
6.72
622.4435
Cer 18:1;O2/22:0
Cer 18:1;O2/22:0
ME584137
-
-
9.85
622.6125
DG 35:2
DG 35:2
ME584155
-
-
9.39
629.5106
DG 35:1
DG 35:1
ME584154
-
-
9.67
631.5261
DG 36:4
DG 36:4
ME584160
-
-
9.01
639.495
DG 36:3
DG 36:3
ME584159
-
-
9.3
641.5106
DG 36:2
DG 36:2
ME584158
-
-
9.59
643.5262
DG 36:1
DG 36:1
ME584157
-
-
9.87
645.541999999999
CE 16:1
CE 16:1
ME584122
-
-
11.7
645.5573
DG 36:0
DG 36:0
ME584156
-
-
10.12
647.5571
CE 16:0
CE 16:0
ME584121
-
-
12.01
647.5729
Cer 18:1;O2/24:1
Cer 18:1;O2/24:1
ME584139
-
-
9.9
648.6281
Cer 18:1;O2/24:0
Cer 18:1;O2/24:0
ME584138
-
-
10.23
650.6434
DG 38:5
DG 38:5
ME584166
-
-
9.29
665.5101
DG 38:4_b
DG 38:4
ME584165
-
-
9.45
667.5261
DG 38:4_a
DG 38:4
ME584164
-
-
9.6
667.5263
DG 38:3
DG 38:3
ME584163
-
-
9.69
669.5417
CE 18:3
CE 18:3
ME584126
-
-
11.53
669.5572
DG 38:2
DG 38:2
ME584162
-
-
9.99
671.5579
CE 18:2
CE 18:2
ME584125
-
-
11.79
671.5728
DG 38:1
DG 38:1
ME584161
-
-
10.24
673.5737
CE 18:1
CE 18:1
ME584124
-
-
12.1
673.5883
CE 18:0
CE 18:0
ME584123
-
-
12.41
675.603999999999
PE 32:0
PE 32:0
ME584225
-
-
8.09
692.5214
CE 20:5
CE 20:5
ME584129
-
-
11.39
693.5572
CE 20:4
CE 20:4
ME584128
-
-
11.64
695.5724
CE 20:3
CE 20:3
ME584127
-
-
11.89
697.588
SM 18:1;O2/16:1
SM 18:1;O2/16:1
ME584234
-
-
8.06
701.5578
PE P-34:2 or PE O-34:3
PE P-34:2 or PE O-34:3
ME584228
-
-
9.27
702.5416
SM 18:1;O2/16:0
SM 18:1;O2/16:0
ME584233
-
-
8.41
703.5738
PC 30:0
PC 30:0
ME584190
-
-
8.37
706.5371
CE 22:6
CE 22:6
ME584132
-
-
11.51
719.5726
PC 31:0
PC 31:0
ME584191
-
-
8.6
720.554
CE 22:5
CE 22:5
ME584131
-
-
11.74
721.5883
CE 22:4
CE 22:4
ME584130
-
-
12
723.6038
PE P-36:2 or PE O-36:3
PE P-36:2 or PE O-36:3
ME584230
-
-
9.39
728.558
SM 18:1;O2/18:1
SM 18:1;O2/18:1
ME584236
-
-
8.57
729.5866
PE P-36:1 or PE O-36:2
PE P-36:1 or PE O-36:2
ME584229
-
-
9.66
730.5742
SM 18:1;O2/18:0
SM 18:1;O2/18:0
ME584235
-
-
8.88
731.6052
PC 32:1
PC 32:1
ME584193
-
-
8.53
732.5528
PC P-33:0 or PC O-33:1
PC P-33:0 or PC O-33:1
ME584211
-
-
9.17
732.5972
PC 32:0
PC 32:0
ME584192
-
-
8.84
734.5685
PC P-34:2 or PC O-34:3
PC P-34:2 or PC O-34:3
ME584215
-
-
9.16
742.571
PC P-34:1 or PC O-34:2
PC P-34:1 or PC O-34:2
ME584214
-
-
9.26
744.5889
TG 42:0
TG 42:0
ME584245
-
-
10.95
745.6308
PE 36:1
PE 36:1
ME584227
-
-
9.39
746.5698
PC P-34:0 or PC O-34:1_b
PC P-34:0 or PC O-34:1
ME584213
-
-
9.55
746.6036
PC P-34:0 or PC O-34:1_a
PC P-34:0 or PC O-34:1
ME584212
-
-
9.26
746.6046
PE 36:0
PE 36:0
ME584226
-
-
9.06
748.5844
PC 34:3
PC 34:3
ME584197
-
-
8.84
756.5504
PC 34:2
PC 34:2
ME584196
-
-
8.67
758.5683
SM 18:1;O2/20:0
SM 18:1;O2/20:0
ME584237
-
-
9.35
759.6363
TG 43:0
TG 43:0
ME584246
-
-
11.08
759.6466
PC 34:1
PC 34:1
ME584195
-
-
8.98
760.5841
PC 34:0
PC 34:0
ME584194
-
-
9.28
762.5994
PC P-36:4 or PC O-36:5
PC P-36:4 or PC O-36:5
ME584221
-
-
9.01
766.5732
PC P-36:3 or PC O-36:4_b
PC P-36:3 or PC O-36:4
ME584220
-
-
9.26
768.5854
PC P-36:3 or PC O-36:4_a
PC P-36:3 or PC O-36:4
ME584219
-
-
9
768.5881
TG 44:2
TG 44:2
ME584249
-
-
10.84
769.6304
PC P-36:2 or PC O-36:3
PC P-36:2 or PC O-36:3
ME584218
-
-
9.39
770.6044
TG 44:1
TG 44:1
ME584248
-
-
11.03
771.6451
PC 35:2
PC 35:2
ME584198
-
-
8.9
772.584
PC P-36:1 or PC O-36:2
PC P-36:1 or PC O-36:2
ME584217
-
-
9.41
772.6203
TG 44:0
TG 44:0
ME584247
-
-
11.25
773.6616
PC P-36:0 or PC O-36:1
PC P-36:0 or PC O-36:1
ME584216
-
-
9.67
774.6356
PC 36:4_b
PC 36:4
ME584205
-
-
8.97
782.566
PC 36:4_a
PC 36:4
ME584204
-
-
8.5
782.5684
PC 36:3
PC 36:3
ME584203
-
-
8.82
784.5843
SM 18:1;O2/22:1
SM 18:1;O2/22:1
ME584239
-
-
9.49
785.6511
TG 45:1
TG 45:1
ME584251
-
-
11.18
785.6618
PC 36:2
PC 36:2
ME584202
-
-
9.12
786.5997
SM 18:1;O2/22:0
SM 18:1;O2/22:0
ME584238
-
-
9.75
787.6674
TG 45:0
TG 45:0
ME584250
-
-
11.39
787.6769
PC 36:1
PC 36:1
ME584201
-
-
9.4
788.6151
PC 36:0_b
PC 36:0
ME584200
-
-
9.66
790.6288
PC 36:0_a
PC 36:0
ME584199
-
-
9.68
790.628999999999
PC P-38:5 or PC O-38:6
PC P-38:5 or PC O-38:6
ME584224
-
-
8.91
792.5924
TG 46:4
TG 46:4
ME584256
-
-
10.67
793.6308
TG 46:3
TG 46:3
ME584255
-
-
10.91
795.6462
PC P-38:3 or PC O-38:4_a
PC P-38:3 or PC O-38:4
ME584222
-
-
9.43
796.6193
PC P-38:3 or PC O-38:4_b
PC P-38:3 or PC O-38:4
ME584223
-
-
9.22
796.6215
TG 46:2
TG 46:2
ME584254
-
-
11.12
797.661999999999
TG 46:1
TG 46:1
ME584253
-
-
11.33
799.6776
TG 46:0
TG 46:0
ME584252
-
-
11.55
801.6927
PC 38:6
PC 38:6
ME584210
-
-
8.82
806.5666
PC 38:4_b
PC 38:4
ME584209
-
-
9.4
810.5971
PC 38:4_a
PC 38:4
ME584208
-
-
9
810.5994
TG 47:2
TG 47:2
ME584259
-
-
11.32
811.6775
PC 38:3
PC 38:3
ME584207
-
-
9.2
812.6148
SM 18:1;O2/24:1
SM 18:1;O2/24:1
ME584241
-
-
9.79
813.6834
TG 47:1
TG 47:1
ME584258
-
-
11.5
813.6931
PC 38:2
PC 38:2
ME584206
-
-
9.48
814.6313
SM 18:1;O2/24:0
SM 18:1;O2/24:0
ME584240
-
-
10.13
815.6987
TG 47:0
TG 47:0
ME584257
-
-
11.71
815.7084
Coenzyme Q9
Coenzyme Q9
ME584143
-
-
11.01
817.6094
TG 48:4
TG 48:4
ME584264
-
-
10.97
821.661999999999
TG 48:3
TG 48:3
ME584263
-
-
11.19
823.6776
TG 48:2
TG 48:2
ME584262
-
-
11.41
825.6931
TG 48:1
TG 48:1
ME584261
-
-
11.62
827.7084
TG 48:0
TG 48:0
ME584260
-
-
11.87
829.7247
TG 49:3
TG 49:3
ME584268
-
-
11.39
837.6933
TG 49:2
TG 49:2
ME584267
-
-
11.55
839.7095
TG 49:1
TG 49:1
ME584266
-
-
11.8
841.7242
TG 49:0
TG 49:0
ME584265
-
-
12.03
843.74
TG 50:6
TG 50:6
ME584275
-
-
10.92
845.6617
TG 50:5
TG 50:5
ME584274
-
-
11
847.6768
TG 50:4
TG 50:4
ME584273
-
-
11.27
849.6933
TG 50:3
TG 50:3
ME584272
-
-
11.49
851.7087
TG 50:2
TG 50:2
ME584271
-
-
11.72
853.7245
TG 50:1
TG 50:1
ME584270
-
-
11.96
855.7403
TG 50:0
TG 50:0
ME584269
-
-
12.22
857.7554
TG 51:4
TG 51:4
ME584280
-
-
11.41
863.7086
TG 51:3
TG 51:3
ME584279
-
-
11.64
865.7257
TG 51:2
TG 51:2
ME584278
-
-
11.87
867.7399
TG 51:1
TG 51:1
ME584277
-
-
12.12
869.7561
TG 51:0
TG 51:0
ME584276
-
-
12.39
871.7716
TG 52:6
TG 52:6
ME584287
-
-
11.14
873.6932
TG 52:5
TG 52:5
ME584286
-
-
11.35
875.7079
TG 52:4
TG 52:4
ME584285
-
-
11.57
877.7241
TG 52:3
TG 52:3
ME584284
-
-
11.8
879.74
TG 52:2
TG 52:2
ME584283
-
-
12.06
881.7556
TG 52:1
TG 52:1
ME584282
-
-
12.3
883.7711
coenzyme Q10
Coenzyme Q10
ME584142
-
-
11.6
885.6713
TG 52:0
TG 52:0
ME584281
-
-
12.57
885.7869
TG 53:3
TG 53:3
ME584289
-
-
11.98
893.7562
TG 54:9
TG 54:9
ME584298
-
-
10.8
895.6784
TG 53:2
TG 53:2
ME584288
-
-
12.23
895.7718
TG 54:8
TG 54:8
ME584297
-
-
11.01
897.6935
TG 54:7
TG 54:7
ME584296
-
-
11.22
899.7087
TG 54:6
TG 54:6
ME584295
-
-
11.43
901.7239
TG 54:5
TG 54:5
ME584294
-
-
11.66
903.7398
TG 54:4
TG 54:4
ME584293
-
-
11.9
905.7555
TG 54:3
TG 54:3
ME584292
-
-
12.15
907.7715
TG 54:2
TG 54:2
ME584291
-
-
12.41
909.7863
TG 54:1
TG 54:1
ME584290
-
-
12.67
911.8027
TG 55:3
TG 55:3
ME584299
-
-
12.33
921.7876
TG 56:8
TG 56:8
ME584307
-
-
11.4
925.725
TG 56:7
TG 56:7
ME584306
-
-
11.62
927.7399
TG 56:6
TG 56:6
ME584305
-
-
11.86
929.7557
TG 56:5
TG 56:5
ME584304
-
-
11.98
931.771
TG 56:4
TG 56:4
ME584303
-
-
12.23
933.7869
TG 56:3
TG 56:3
ME584302
-
-
12.5
935.8065
TG 56:2
TG 56:2
ME584301
-
-
12.79
937.8182
TG 56:1
TG 56:1
ME584300
-
-
13.08
939.8345
TG 58:10
TG 58:10
ME584310
-
-
11.37
949.7246
TG 58:9
TG 58:9
ME584316
-
-
11.53
951.7404
TG 57:2
TG 57:2
ME584308
-
-
12.98
951.8345
TG 58:8
TG 58:8
ME584315
-
-
11.75
953.7557
TG 58:7
TG 58:7
ME584314
-
-
11.87
955.7712
TG 58:6
TG 58:6
ME584313
-
-
12.1
957.7866
TG 58:3
TG 58:3
ME584312
-
-
12.89
963.834
TG 58:2
TG 58:2
ME584311
-
-
13.21
965.8497
TG 58:1
TG 58:1
ME584309
-
-
13.52
967.8654
TG 60:12
TG 60:12
ME584317
-
-
11.32
973.7215
TG 60:3
TG 60:3
ME584319
-
-
13.32
991.8648
TG 60:2
TG 60:2
ME584318
-
-
13.65
993.8811
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
isovalerate/valerate/methylbutyrate
-
ME584380
-
-
3.44
101.06
valerate/isovalerate
-
ME584441
-
-
3.48
101.0608
2-aminobutyrate
2-Aminobutyric acid
ME584328
-
-
2.85
102.0561
malonate
Malonic acid
ME584384
-
-
6.85
103
alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxy...
-
ME584347
-
-
3.5
103.04
glycerate
Glyceric acid
ME584366
-
-
4
105.0194
uracil
Uracil
ME584411
-
-
1.54
111.02
fumarate/maleate
Fumaric acid
ME584362
-
-
6.75
115.0038
alpha-ketoisovalerate
Ketoisovaleric acid
ME584350
-
-
3.16
115.04
caproate
Caproic acid
ME584429
-
-
3.43
115.0766
succinate
Succinic acid
ME584403
-
-
6.6
117.02
2-hydroxy-3-methylbutyrate/hydroxyisovalerate
-
ME584330
-
-
3.4
117.0559
4-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME584338
-
-
2.39
121.03
threitol
Threitol
ME584409
-
-
1.44
121.05
nicotinate
Nicotinic acid
ME584388
-
-
3.82
122.02
4-methylcatechol
4-Methylcatechol
ME584422
-
-
1.32
123.0453
thymine
Thymine
ME584410
-
-
1.27
125.0358
mesaconate
Mesaconic acid
ME584385
-
-
6.54
129.02
alpha-keto-beta-methylvalerate/alpha-ketoisocaproa...
-
ME584348
-
-
3.13
129.06
thymine-d4
Thymine
ME584321
-
-
1.27
129.0609
acetylalanine
N-Acetylalanine
ME584427
-
-
3.58
130.0511
2-hydroxy-3-methylpentanoate/hydroxyisocaproate
-
ME584331
-
-
3.35
131.0716
aspartate
Aspartic acid
ME584352
-
-
4.96
132.0304
4-hydroxybenzeneacetonitrile
4-Hydroxybenzeneacetonitrile
ME584339
-
-
1.16
132.05
malate
Malic acid
ME584383
-
-
6.75
133.0144
adenine
Adenine
ME584343
-
-
2.15
134.05
erythronate/threonate
-
ME584360
-
-
4.02
135.03
hypoxanthine
Hypoxanthine
ME584374
-
-
3.1
135.0314
phenylacetate
Phenyl acetate
ME584393
-
-
3.63
135.05
salicylate
Salicylic acid
ME584439
-
-
3.63
137.0246
4-nitrophenol
4-Nitrophenol
ME584423
-
-
3.73
138.0198
3-methylglutaconate
3E-Methylglutaconic acid
ME584421
-
-
6.55
143.0351
caprylate
Caprylic acid
ME584430
-
-
3.32
143.1079
2-aminoheptanoate
2-Aminoheptanoic acid
ME584329
-
-
2.36
144.1
alpha-ketoglutarate
2-Oxoglutaric acid
ME584349
-
-
7.13
145.01
adipate/methylglutarate
-
ME584344
-
-
6.48
145.05
adipate
Adipic acid
ME584428
-
-
6.54
145.0508
glutamate
Glutamic acid
ME584365
-
-
4.87
146.05
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME584332
-
-
6.58
147.03
tartarate
Tartaric acid
ME584405
-
-
6.76
149.01
xylose
Xylose
ME584416
-
-
1.56
149.05
hydrocinnamate
Hydrocinnamic acid
ME584433
-
-
3.56
149.0609
guanine
Guanine
ME584369
-
-
2.51
150.04
xanthine
Xanthine
ME584414
-
-
4.64
151.03
2-(3-hydroxyphenyl)acetic acid (mHPAA)
-
ME584418
-
-
4.3
151.0402
hydroxyphenylacetate
Hydroxyphenyl acetate
ME584434
-
-
3.6
151.0402
adonitol/arabitol
-
ME584345
-
-
1.63
151.0613
gentisate
Gentisic acid
ME584363
-
-
3.4
153.02
orotate
Orotic acid
ME584389
-
-
4.29
155.01
3-methyladipate/pimelate
-
ME584336
-
-
6.49
159.07
2-aminoadipate
alpha-Aminoadipic acid
ME584327
-
-
5
160.06
3-hydroxymethylglutarate
3-Hydroxymethylglutaric acid
ME584420
-
-
6.53
161.0457
anhydroDglucose
-
ME584351
-
-
6.45
161.05
acesulfame
Acesulfame
ME584426
-
-
3.21
161.9869
fucose
Fucose
ME584431
-
-
1.36
163.0614
1-methylxanthine
1-Methylxanthine
ME584326
-
-
3.75
165.04
7-methylxanthine
7-Methylxanthine
ME584341
-
-
2.44
165.04
3-(3-hydroxyphenyl)propanoic acid (mHPPA)
-
ME584419
-
-
4.17
165.0558
3-3-hydroxyphenylpropionate
3-(3-Hydroxyphenyl)propanoic acid
ME584334
-
-
4.14
165.06
phenyllactate
Phenyllactic acid
ME584394
-
-
3.47
165.06
quinolinate
Quinolinic acid
ME584398
-
-
7.15
166.01
urate
Uric acid
ME584412
-
-
4.98
167.0212
1-methylhistidine
1-Methylhistidine
ME584324
-
-
3.18
168.08
alpha-glycerophosphate
sn-Glycero-3-phosphate
ME584346
-
-
6.98
171.01
aconitate
trans-Aconitic acid
ME584342
-
-
8.73
173.01
suberate
Suberic acid
ME584402
-
-
6.45
173.08
Ne-Ne dimethyllysine
-
ME584387
-
-
5.55
173.13
2-isopropylmalate
2-Isopropylmalic acid
ME584333
-
-
6.77
175.06
hippurate
Hippuric acid
ME584372
-
-
3.63
178.05
fructose/glucose/galactose
Hexose
ME584361
-
-
1.97
179.06
inositol
Inositol
ME584379
-
-
2.47
179.06
1-methylurate
1-Methyluric acid
ME584325
-
-
4.45
181.04
homovanillate
Homovanillic acid
ME584373
-
-
4.17
181.0508
Hydrocaffeic acid
-
ME584432
-
-
5.15
181.0509
sorbitol
Sorbitol
ME584401
-
-
1.86
181.072
saccharin
Saccharin
ME584438
-
-
3.51
181.992
4-pyridoxate
4-Pyridoxic acid
ME584340
-
-
3.53
182.0461
3-phosphoglycerate
3-Phosphoglyceric acid
ME584337
-
-
8.82
184.99
N-acetylglutamate
N-Acetylglutamic acid
ME584386
-
-
6.35
188.06
indole-3-propionate
3-Indolepropionic acid
ME584375
-
-
4.24
188.0718
citrate/isocitrate
Citric acid/Isocitric acid
ME584355
-
-
8.68
191.02
quinate
Quinic acid
ME584397
-
-
4.02
191.06
glucuronate
Glucuronic acid
ME584364
-
-
4.63
193.04
salicylurate
Salicyluric acid
ME584399
-
-
5.71
194.05
5-acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME584424
-
-
2.64
197.0682
5-dodecenoate
5-Dodecenoic acid
ME584425
-
-
3.21
197.1549
sebacate
Sebacic acid
ME584400
-
-
6.42
201.11
xanthurenate
Xanthurenic acid
ME584415
-
-
7.91
204.03
indolelactate
Indolelactic acid
ME584376
-
-
4.17
204.07
saccharic Acid
Glucaric acid
ME584437
-
-
6.68
209.0306
1-3-7-trimethylurate
-
ME584417
-
-
3.53
209.0683
indoxylsulfate
Indoxyl sulfate
ME584377
-
-
3.65
212
pantothenate
Pantothenic acid
ME584391
-
-
3.73
218.1035
cystathionine
Cystathionine
ME584357
-
-
5.09
221.06
3-hydroxykynurenate
3-Hydroxykynurenic acid
ME584335
-
-
3.94
223.07
Urolithin A
Urolithin A
ME584440
-
-
2.71
227.0353
pentose monophosphate
Ribose 5-phosphate
ME584392
-
-
7.04
229.01
tetrahydro-1-methyl-beta-carboline-3-carboxylate
-
ME584408
-
-
3.56
229.1
CMPF
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME584356
-
-
6.57
239.09
cytidine
Cytidine
ME584358
-
-
1.93
242.08
pseudouridine
Pseudouridine
ME584396
-
-
2.16
243.0622
uridine
Uridine
ME584413
-
-
1.64
243.0623
hexose monophosphate
Fructose 6-phosphate
ME584371
-
-
7.07
259.02
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME584436
-
-
3.55
263.1038
inosine
Inosine
ME584378
-
-
3.16
267.07
inosine-15N4
Inosine
ME584322
-
-
3.15
271.06
guanosine
Guanosine
ME584370
-
-
2.84
282.08
dTMP
dTMP
ME584359
-
-
7.08
321.05
lactose
Lactose
ME584435
-
-
2.38
341.1095
sucrose/lactose/trehalose
-
ME584404
-
-
2.3
341.11
lithocholate
Lithocholic acid
ME584382
-
-
3.72
375.291
chenodeoxycholate/deoxycholate
Deoxycholic acid
ME584354
-
-
3.78
391.29
glycodeoxycholate/glycochenodeoxycholate
Glycodeoxycholic acid
ME584368
-
-
3.62
448.31
glycocholate
Glycocholic acid
ME584367
-
-
3.7
464.3
glycocholate-d4
Glycocholic acid
ME584323
-
-
3.69
468.33
taurodeoxycholate/taurochenodeoxycholate
-
ME584407
-
-
3.21
498.29
taurocholate
Taurocholic acid
ME584406
-
-
3.38
514.28
propionate
Propionic acid
ME584395
-
-
3.73
73.03
butyrate
Butyric acid
ME584353
-
-
3.58
87.0452
oxalate
Oxalic acid
ME584390
-
-
7.14
88.99
lactate
Lactic acid
ME584381
-
-
3.7
89.0245
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Levulinic acid
Levulinic acid
ME584531
-
-
0.99
115.0388
4-Hydroxystyrene
4-Hydroxystyrene
ME584467
-
-
2.21
119.0489
Heptylic acid
Heptylic acid
ME584518
-
-
7.48
129.0909
N-Acetylalanine
N-Acetylalanine
ME584543
-
-
0.98
130.0499
3S-Hydroxyhexanoic acid
3S-Hydroxyhexanoic acid
ME584465
-
-
1.55
131.0702
Salicylic acid
Salicylic acid
ME584564
-
-
2.89
137.0232
Caprylic acid
Caprylic acid
ME584491
-
-
8.68
143.1066
Hydrocinnamic acid
Hydrocinnamic acid
ME584522
-
-
5.87
149.0596
Oxypurinol
Oxypurinol
ME584550
-
-
0.81
151.025
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME584559
-
-
1.39
151.0389
3-Methyladipic acid
3-Methyladipic acid
ME584464
-
-
1.33
159.0652
2-Hydroxyoctanoic acid
2-Hydroxyoctanoic acid
ME584460
-
-
6.39
159.1032
Acesulfame
Acesulfame
ME584475
-
-
1.01
161.9856
Phenyllactic acid
Phenyllactic acid
ME584558
-
-
2.21
165.0547
2-Furoylglycine
2-Furoylglycine
ME584456
-
-
1.47
168.0293
Capric acid
Capric acid
ME584490
-
-
10.6
171.1382
Indoleacetic acid
Indoleacetic acid
ME584525
-
-
3.8
174.0551
Hexose
Hexose
ME584520
-
-
0.77
179.0552
Saccharin
Saccharin
ME584563
-
-
1.07
181.9908
Azelaic acid
Azelaic acid
ME584489
-
-
3.54
187.0966
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME584462
-
-
8.14
187.1345
5-Dodecenoic acid
5-Dodecenoic acid
ME584469
-
-
11.34
197.1541
Lauric acid
Lauric acid
ME584530
-
-
12.26
199.1694
Sebacic acid
Sebacic acid
ME584565
-
-
5.73
201.1125
Cinnamoylglycine
Cinnamoylglycine
ME584496
-
-
2.49
204.066
Methyl dodecanoate
Methyl dodecanoate
ME584540
-
-
12.78
213.1855
Tridecylic acid
Tridecylic acid
ME584575
-
-
13.02
213.1855
undecanedionate
Undecanedioic acid
ME584581
-
-
6.8
215.1283
2-Hydroxyibuprofen
2-Hydroxyibuprofen
ME584458
-
-
5.81
221.1188
N-Acetyltyrosine
N-Acetyltyrosine
ME584544
-
-
1.08
222.0766
Porphobilinogen
Porphobilinogen
ME584561
-
-
0.98
225.0877
Myristoleic acid
Myristoleic acid
ME584542
-
-
12.63
225.1855
Myristic acid
Myristic acid
ME584541
-
-
13.71
227.201
Dodecanedioic acid
Dodecanedioic acid
ME584503
-
-
7.63
229.1441
carboxyibuprofen
Carboxyibuprofen
ME584492
-
-
6.03
235.0973
14-pentadecenoic acid
-
ME584449
-
-
13.36
239.2014
Pentadecylic acid
Pentadecylic acid
ME584554
-
-
14.35
241.2169
2-Hydroxymyristic acid
2-Hydroxymyristic acid
ME584459
-
-
12.17
243.1963
Palmitoleic acid
Palmitoleic acid
ME584552
-
-
13.93
253.2171
Palmitic acid
Palmitic acid
ME584551
-
-
14.91
255.2327
Ribothymidine
Ribothymidine
ME584562
-
-
0.97
257.0779
Tetradecanedioic acid
Tetradecanedioic acid
ME584571
-
-
9.06
257.1758
alpha-N-Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME584481
-
-
1.38
263.1039
10Z-Heptadecenoic acid
10Z-Heptadecenoic acid
ME584443
-
-
14.51
267.233
Margaric acid
Margaric acid
ME584536
-
-
15.44
269.2486
2-Hydroxy palmitic acid
2-Hydroxypalmitic acid
ME584457
-
-
13.64
271.228
Juniperic acid
Juniperic acid
ME584529
-
-
10.83
271.2284
alpha-CEHC
alpha-CEHC
ME584478
-
-
7.7
277.145
alpha-Linolenic acid
alpha-Linolenic acid
ME584479
-
-
13.46
277.2172
Linoleic acid
Linoleic acid
ME584532
-
-
14.22
279.2327
Oleic acid
Oleic acid
ME584549
-
-
15.04
281.2484
Stearic acid
Stearic acid
ME584566
-
-
15.9
283.2642
Hexadecanedioic acid
Hexadecanedioic acid
ME584519
-
-
10.4
285.2071
13-HODE
13-HODE
ME584448
-
-
11.34
295.2278
Nonadeca-10Z-enoic acid
Nonadeca-10Z-enoic acid
ME584546
-
-
15.53
295.2641
17-Methylstearate
Xi-17-Methyloctadecanoic acid
ME584582
-
-
16.2
297.2798
Nonadecylic acid
Nonadecylic acid
ME584547
-
-
16.35
297.2798
9-cis-Retinoic acid
9-cis-Retinoic acid
ME584473
-
-
12.55
299.2021
10-Hydroxystearic Acid
-
ME584442
-
-
12.58
299.2589
2-Hydroxystearic Acid
2-Hydroxystearic acid
ME584461
-
-
15.43
299.2591
Eicosapentaenoic acid
Eicosapentaenoic acid
ME584506
-
-
13.33
301.2173
Arachidonic acid
Arachidonic acid
ME584484
-
-
14.05
303.2328
Eicosatrienoic acid
Eicosatrienoic acid
ME584507
-
-
14.54
305.2485
Eicosadienoic acid
Eicosadienoic acid
ME584504
-
-
15.2
307.2642
Eicosenoic acid
Eicosenoic acid
ME584508
-
-
15.94
309.2799
Arachidic acid
Arachidic acid
ME584483
-
-
16.81
311.2956
Phytanic acid
Phytanic acid
ME584560
-
-
16.16
311.2956
12,13-diHOME
12,13-DiHOME
ME584446
-
-
9.8
313.2386
9,10-DiHOME
9,10-DiHOME
ME584472
-
-
10
313.2386
5-HETE
5-HETE
ME584470
-
-
12.03
319.2279
15-HETE
15-HETE
ME584450
-
-
11.44
319.228
11-HETE
11-HETE
ME584445
-
-
11.63
319.2281
12-HETE
12-HETE
ME584447
-
-
11.76
319.2281
9-HETE
9-HETE
ME584474
-
-
11.89
319.2281
Docosahexaenoic acid
Docosahexaenoic acid
ME584502
-
-
13.82
327.233
Carnosol
Carnosol
ME584493
-
-
10.42
329.1758
4,7,10,13,16-Docosapentaenoic acid
4,7,10,13,16-Docosapentaenoic acid
ME584466
-
-
14.19
329.2485
Adrenic acid
Adrenic acid
ME584476
-
-
14.83
331.2642
5,6 diHETE
5,6-DiHETE
ME584468
-
-
11.11
335.2232
cis-Erucic acid
cis-Erucic acid
ME584497
-
-
16.78
337.3113
Eicosanedioic acid
Eicosanedioic acid
ME584505
-
-
12.95
341.2697
11-HDoHE
11-HDoHE
ME584444
-
-
11.73
343.2284
Palmitoyl-EA
Palmitoyl-EA
ME584553
-
-
13.42
344.2806
15R-15-methyl PGA2 [iSTD]
-
ME584451
-
-
9.36
347.2227
15S-15-methyl PGD2 [iSTD]
-
ME584453
-
-
8.31
365.2333
15S-15-methyl PGE2 [iSTD]
-
ME584455
-
-
8.05
365.2333
Nervonic acid
Nervonic acid
ME584545
-
-
17.75
365.3424
Dehydroepiandrosterone sulfate
Dehydroepiandrosterone sulfate
ME584499
-
-
7.95
367.159
15R-15-methyl PGF2a [iSTD]
-
ME584452
-
-
7.86
367.249
15S-15-methyl PGE1 [iSTD]
-
ME584454
-
-
8.17
367.249
Dehydrolithocholic acid
Dehydrolithocholic acid
ME584500
-
-
12.08
373.2744
Lithocholic acid
Lithocholic acid
ME584533
-
-
12.06
375.2903
Isolithocholic acid
Isolithocholic acid
ME584528
-
-
11.35
375.2904
Isoallolithocholic acid
Isoallolithocholic acid
ME584526
-
-
11.13
375.2905
3-Ketodeoxycholic acid
3-Ketodeoxycholic acid
ME584463
-
-
10.35
389.2698
Apocholic acid/12-Ketodeoxycholic acid
-
ME584482
-
-
9.56
389.2699
Chenodeoxycholic acid
Chenodeoxycholic acid
ME584494
-
-
10.17
391.2854
Deoxycholic acid
Deoxycholic acid
ME584501
-
-
10.38
391.2854
Isodeoxycholic acid
Isodeoxycholic acid
ME584527
-
-
9.35
391.2855
Hyodeoxycholic acid
Hyodeoxycholic acid
ME584524
-
-
8.87
391.2856
7-Ketodeoxycholic acid
7-Ketodeoxycholic acid
ME584471
-
-
7.98
405.2647
Cholic acid
Cholic acid
ME584495
-
-
8.75
407.2802
alpha-Muricholic acid
alpha-Muricholic acid
ME584480
-
-
7.75
407.2804
Hyocholic acid
Hyocholic acid
ME584523
-
-
12.28
419.2805
Glycolithocholic acid
Glycolithocholic acid
ME584516
-
-
10.5
432.312
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME584513
-
-
8.86
448.307
Glycodeoxycholic acid
Glycodeoxycholic acid
ME584515
-
-
9.1
448.3071
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME584517
-
-
7.7
448.3072
Oleanolic acid
Oleanolic acid
ME584548
-
-
13.59
455.3533
Ala - Deoxycholic acid
-
ME584477
-
-
9.42
462.3229
Glycocholic acid
Glycocholic acid
ME584514
-
-
7.73
464.3017
Maslinic acid
Maslinic acid
ME584537
-
-
11.46
471.3481
Taurolithocholic acid
Taurolithocholic acid
ME584570
-
-
9.52
482.2942
Thr - Deoxycholic acid
-
ME584574
-
-
8.97
492.3332
Thr - Chenodeoxycholic acid
-
ME584572
-
-
8.69
492.3334
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME584567
-
-
8.03
498.2897
Taurodeoxycholic acid
Taurodeoxycholic acid
ME584569
-
-
8.29
498.2899
Asn - Deoxycholic acid
-
ME584486
-
-
8.38
505.3289
Asp - Deoxycholic acid
-
ME584488
-
-
8.71
506.3124
Thr - Cholic acid
-
ME584573
-
-
7.64
508.3281
Taurocholic acid
Taurocholic acid
ME584568
-
-
7.09
514.2844
Lys - Chenodeoxycholic acid
-
ME584535
-
-
7.56
519.3804
Glu - Chenodeoxycholic acid
-
ME584510
-
-
8.56
520.3279
Glu - Deoxycholic acid
-
ME584512
-
-
8.8
520.3279
Asn - Cholic acid
-
ME584485
-
-
7.19
521.3235
Asp - Cholic acid
-
ME584487
-
-
7.44
522.3074
Met - Chenodeoxycholic acid
-
ME584538
-
-
10.14
522.3261
His - Deoxycholic acid
-
ME584521
-
-
7.51
528.3441
Gln - Cholic acid
-
ME584509
-
-
7.25
535.3398
Glu - Cholic acid
-
ME584511
-
-
7.53
536.3232
Met - Cholic acid
-
ME584539
-
-
8.68
538.3211
Phe - Chenodeoxycholic acid
-
ME584555
-
-
10.52
538.3534
Phe - Deoxycholic acid
-
ME584557
-
-
10.85
538.3541
Citrulline - Deoxycholic acid
-
ME584498
-
-
8.38
548.3708
Tyr - Ursodeoxycholic acid / Tyr - Hyodeoxycholic ...
-
ME584580
-
-
8.16
554.3483
Tyr - Chenodeoxycholic acid
-
ME584578
-
-
9.21
554.3486
Phe - Cholic acid
-
ME584556
-
-
9.38
554.3491
Tyr - Cholic acid
-
ME584579
-
-
8.14
570.344
Trp - Deoxycholic acid
-
ME584577
-
-
10.48
577.365
L-Urobilin
L-Urobilin
ME584534
-
-
6.13
593.3348
Trp - Cholic acid
-
ME584576
-
-
9.12
593.3599
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