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Return to study ST001519 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
ME367029
-
-
9.25
103.1233
3-Amino-isobutanoic acid
3-Aminoisobutanoic acid
ME366925
-
-
7.67
104.0706
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME366926
-
-
7.51
104.0710
Choline
Choline
ME366938
-
-
8.15
104.1073
Serine
Serine
ME366903
-
-
7.53
106.0502
Cytosine
Cytosine
ME366947
-
-
6.04
112.0508
Histamine
Histamine
ME366933
-
-
9.12
112.0872
Creatinine
Creatinine
ME366944
-
-
6.34
114.0664
Proline
Proline
ME366919
-
-
7.98
116.0708
Guanidoacetic acid
Guanidoacetic acid
ME367036
-
-
7.75
118.0613
Indole
Indole
ME367042
-
-
1.66
118.0653
Valine
Valine
ME366913
-
-
7.27
118.0863
Betaine
Betaine
ME366937
-
-
8.85
118.0864
Threonine
Threonine
ME366904
-
-
7.50
120.0656
Trimethylbenzene
Trimethylbenzene
ME367010
-
-
1.65
121.1013
Niacinamide
Niacinamide
ME366936
-
-
3.63
123.0554
Nicotinic acid
Nicotinic acid
ME367066
-
-
3.54
124.0394
Taurine
Taurine
ME366923
-
-
5.91
126.0219
5-Methylcytosine
5-Methylcytosine
ME367017
-
-
6.16
126.0662
valine-d8 [iSTD]
-
ME366899
-
-
7.31
126.1365
Imidazoleacetic acid
Imidazoleacetic acid
ME367041
-
-
8.06
127.0502
N-Methyl-proline
N-Methyl-proline
ME367057
-
-
8.50
130.0862
Pipecolic acid
Pipecolic acid
ME366953
-
-
7.86
130.0862
Metformin
Metformin
ME367086
-
-
7.16
130.1087
N-Acetylputrescine
N-Acetylputrescine
ME367051
-
-
7.82
131.1178
Agmatine
Agmatine
ME367024
-
-
9.09
131.1291
Hydroxyproline
Hydroxyproline
ME366920
-
-
7.77
132.0654
Creatine
Creatine
ME366943
-
-
8.20
132.0766
3-Guanidinopropanoic acid
3-Guanidinopropanoic acid
ME367026
-
-
7.37
132.0767
Isoleucine
Isoleucine
ME366915
-
-
7.02
132.1019
Leucine
Leucine
ME366914
-
-
6.89
132.1019
Asparagine
Asparagine
ME366908
-
-
7.80
133.0606
Ureidopropionic acid
Ureidopropionic acid
ME366935
-
-
4.00
133.0607
Gly-Gly
Gly-Gly
ME367035
-
-
8.19
133.0608
Ornithine
Ornithine
ME366921
-
-
9.31
133.0972
Aspartic acid
Aspartic acid
ME366906
-
-
8.15
134.0448
Hypoxanthine
Hypoxanthine
ME367040
-
-
4.65
137.0456
1-Methyl nicotinamide
1-Methyl nicotinamide
ME366954
-
-
8.11
137.0708
2-Aminobenzoic acid
2-Aminobenzoic acid
ME366931
-
-
1.75
138.0548
Trigonelline
Trigonelline
ME367092
-
-
8.73
138.0550
Urocanic acid
Urocanic acid
ME367077
-
-
4.43
139.0500
Imidazolepropionic acid
Imidazolepropionic acid
ME367084
-
-
7.34
141.0656
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME367087
-
-
8.78
141.0659
L-Histidinol
L-Histidinol
ME367039
-
-
8.95
142.0974
Ectoine
Ectoine
ME367034
-
-
8.81
143.0813
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME367015
-
-
3.36
146.0810
Acetylcholine
Acetylcholine
ME366941
-
-
8.06
146.1173
3-Dehydroxycarnitine
3-Dehydroxycarnitine
ME367013
-
-
8.72
146.1176
Spermidine
Spermidine
ME366942
-
-
10.55
146.1652
Glutamine
Glutamine
ME366909
-
-
7.91
147.0762
Lysine
Lysine
ME366912
-
-
9.30
147.1126
Glutamic acid
Glutamic acid
ME366907
-
-
7.49
148.0602
Methionine
Methionine
ME366905
-
-
6.93
150.0581
4-Hydroxy-3-methylacetophenone
4-Hydroxy-3-methylacetophenone
ME367014
-
-
1.65
151.0751
Guanine
Guanine
ME367037
-
-
5.25
152.0567
Acetaminophen
Acetaminophen
ME367022
-
-
1.88
152.0706
6,8-Dihydroxypurine
6,8-Dihydroxypurine
ME367020
-
-
4.14
153.0405
Xanthine
Xanthine
ME367078
-
-
3.60
153.0405
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME367059
-
-
4.17
153.0656
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME366934
-
-
1.82
154.0497
N-Acetylhistamine
N-Acetylhistamine
ME367055
-
-
7.63
154.0972
Histidine
Histidine
ME366910
-
-
9.48
156.0768
Allantoin
Allantoin
ME366930
-
-
3.40
159.0513
Ala-Ala
Ala-Ala
ME367031
-
-
7.78
161.0918
Tryptamine
Tryptamine
ME367093
-
-
6.05
161.1071
Carnitine
Carnitine
ME366958
-
-
8.73
162.1122
5-Hydroxylysine
5-Hydroxylysine
ME367019
-
-
9.22
163.1074
Pterin
Pterin
ME367071
-
-
4.62
164.0567
Methionine sulfoxide
Methionine sulfoxide
ME366956
-
-
8.54
166.0530
1-Methylguanine
1-Methylguanine
ME367009
-
-
5.13
166.0721
7-Methylguanine
7-Methylguanine
ME367021
-
-
5.62
166.0721
Methyl N-methylanthranilate
Methyl N-methylanthranilate
ME367047
-
-
1.69
166.0863
Phenylalanine
Phenylalanine
ME366916
-
-
6.65
166.0863
Uric acid
Uric acid
ME367076
-
-
4.15
169.0353
Pyridoxamine
Pyridoxamine
ME367072
-
-
9.26
169.0970
Pyridoxine
Pyridoxine
ME367073
-
-
6.06
170.0812
3-Methylhistidine
3-Methylhistidine
ME367007
-
-
9.85
170.0922
N-Acetylleucine
N-Acetylleucine
ME367050
-
-
2.56
174.1123
phenylalanine-d8 [iSTD]
-
ME366900
-
-
6.64
174.1362
Arginine
Arginine
ME366911
-
-
9.07
175.1187
Citrulline
Citrulline
ME366922
-
-
8.25
176.1027
Cotinine
Cotinine
ME366952
-
-
4.93
177.1020
Isoxanthopterin
Isoxanthopterin
ME367044
-
-
4.09
180.0513
Adrenochrome
Adrenochrome
ME367023
-
-
9.53
180.0655
Tyrosine
Tyrosine
ME366917
-
-
6.73
182.0812
Choline phosphate
Choline phosphate
ME366939
-
-
12.55
184.0733
1-Carboxymethylmetronidazole
1-Carboxymethylmetronidazole
ME367004
-
-
5.86
186.0492
N1-Acetylspermidine
N1-Acetylspermidine
ME367060
-
-
9.78
188.1755
N-Acetylglutamine
N-Acetylglutamine
ME367049
-
-
6.80
189.0867
N6-Acetyllysine
N6-Acetyllysine
ME367064
-
-
8.27
189.1230
Leu-Gly
Leu-Gly
ME367085
-
-
7.27
189.1231
Targinine
Targinine
ME366929
-
-
9.29
189.1343
N-6-Trimethyllysine
N-6-Trimethyllysine
ME367065
-
-
11.17
189.1594
Kynurenic acid
Kynurenic acid
ME366932
-
-
5.13
190.0495
N-Methylserotonin
N-Methylserotonin
ME367058
-
-
6.22
191.1176
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME366924
-
-
1.86
192.0652
trans-3-Hydroxycotinine
trans-3-Hydroxycotinine
ME367083
-
-
4.84
193.0969
Caffeine
Caffeine
ME367082
-
-
2.77
195.0874
1,7-Dimethyluric acid
1,7-Dimethyluric acid
ME367011
-
-
3.46
197.0667
5-Acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME367018
-
-
2.13
199.0826
Dimethylarginine
Dimethylarginine
ME366927
-
-
9.73
203.1503
Symmetric dimethyl-arginine
Symmetric dimethylarginine
ME366928
-
-
9.65
203.1503
CAR(2:0)
CAR 2:0
ME366959
-
-
8.58
204.1227
Tryptophan
Tryptophan
ME366918
-
-
6.44
205.0972
Pantothenol
Pantothenol
ME367068
-
-
3.73
206.1384
Dethiobiotin
Dethiobiotin
ME367033
-
-
3.62
215.1387
N-Acetylarginine
N-Acetylarginine
ME367053
-
-
8.07
217.1291
CAR(3:0)
CAR 3:0
ME366960
-
-
8.23
218.1383
N-Acetylserotonin
N-Acetylserotonin
ME367052
-
-
2.44
219.1125
N-Acetyl-D-galactosamine
N-Acetyl-D-galactosamine
ME367054
-
-
5.25
222.0972
Myristoleic acid
Myristoleic acid
ME367048
-
-
1.60
227.2006
Deoxycytidine
Deoxycytidine
ME366951
-
-
5.84
228.0974
CAR(4:0)
CAR 4:0
ME366962
-
-
7.94
232.1539
Biopterin
Biopterin
ME367081
-
-
5.00
238.0930
Anserine
Anserine
ME366957
-
-
10.43
241.1291
Thymidine
Thymidine
ME366948
-
-
2.80
243.0976
Cytidine
Cytidine
ME367030
-
-
5.68
244.0924
CAR(5:1)
CAR 5:1
ME366965
-
-
7.79
244.1539
Pseudouridine
Pseudouridine
ME367070
-
-
3.92
245.0763
Biotin
Biotin
ME367028
-
-
3.75
245.0951
N1-Acetylspermine
N1-Acetylspermine
ME367061
-
-
10.98
245.2331
CAR(5:0)
CAR 5:0
ME366964
-
-
7.72
246.1695
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME367056
-
-
2.78
247.1072
CAR(4:0(OH))
CAR 4:0;OH
ME366963
-
-
8.76
248.1488
Deoxyadenosine
Deoxyadenosine
ME366950
-
-
5.06
252.1086
5-Methylcytidine
5-Methylcytidine
ME367016
-
-
5.88
258.1085
sn-Glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME366940
-
-
10.35
258.1096
Ribothymidine
Ribothymidine
ME367074
-
-
2.85
259.0925
CAR(DC3:0(2Me))
CAR DC3:0;2Me
ME366961
-
-
8.50
262.1280
alpha-N-Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME367088
-
-
4.48
265.1177
Atenolol
Atenolol
ME367025
-
-
6.83
267.1699
Deoxyguanosine
Deoxyguanosine
ME367032
-
-
5.21
268.1034
Adenosine
Adenosine
ME366946
-
-
4.85
268.1035
Inosine
Inosine
ME367043
-
-
4.72
269.0875
CAR(DC5:0)
CAR DC5:0
ME366966
-
-
8.25
276.1438
1-Methyladenosine
1-Methyladenosine
ME367005
-
-
7.55
282.1191
2'-O-Methyladenosine
2'-O-Methyladenosine
ME367012
-
-
4.47
282.1197
Guanosine
Guanosine
ME367038
-
-
5.10
284.0983
alpha-Hydroxymetoprolol
alpha-Hydroxymetoprolol
ME367079
-
-
6.72
284.1850
Xanthosine
Xanthosine
ME366949
-
-
4.20
285.0830
Piperine
Piperine
ME367089
-
-
1.85
286.1432
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME367062
-
-
10.34
287.2435
CAR(8:0)
CAR 8:0
ME366967
-
-
7.23
288.2162
2-Methylguanosine
2-Methylguanosine
ME367006
-
-
4.90
298.1140
Sphingosine
Sphingosine
ME367091
-
-
5.71
300.2891
CAR(9:0)
CAR 9:0
ME366968
-
-
7.12
302.2320
Sphinganine
Sphinganine
ME367075
-
-
5.73
302.3047
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME367063
-
-
5.20
312.1295
CAR(10:2)
CAR 10:2
ME366970
-
-
7.24
312.2162
CAR(10:0)
CAR 10:0
ME366969
-
-
7.06
316.2475
Phytosphingosine
Phytosphingosine
ME367069
-
-
5.83
318.3003
Linoleoyl-EA
Linoleoyl-EA
ME367046
-
-
1.88
324.2891
Quinine
Quinine
ME367090
-
-
6.30
325.1904
N-Oleoyl glycine
N-Oleoyl glycine
ME367067
-
-
2.14
340.2841
CAR(12:1)
CAR 12:1
ME366972
-
-
6.93
342.2631
CAR(12:0)
CAR 12:0
ME366971
-
-
6.89
344.2789
CAR(14:2)
CAR 14:2
ME366975
-
-
6.81
368.2787
CAR(14:1)
CAR 14:1
ME366974
-
-
6.76
370.2945
CAR(14:0)
CAR 14:0
ME366973
-
-
6.75
372.3102
CAR(16:0)
CAR 16:0
ME366976
-
-
6.63
400.3414
CAR(16:0(OH))
CAR 16:0;OH
ME366977
-
-
7.06
416.3364
CAR(18:2)
CAR 18:2
ME366981
-
-
6.60
424.3412
CAR(18:1)
CAR 18:1
ME366979
-
-
9.57
426.3578
CAR(18:0)
CAR 18:0
ME366978
-
-
6.52
428.3729
CAR(18:1(OH))
CAR 18:1;OH
ME366980
-
-
6.99
442.3521
CAR(20:4)
CAR 20:4
ME366983
-
-
6.23
448.3414
LPE(16:0)
LPE 16:0
ME366997
-
-
6.21
454.2920
CAR(20:0)
CAR 20:0
ME366982
-
-
6.45
456.4040
LPC(14:0)
LPC 14:0
ME366984
-
-
7.83
468.3073
LPE(18:3)
LPE 18:3
ME367002
-
-
6.22
476.2765
LPE(18:2)
LPE 18:2
ME367001
-
-
6.18
478.2915
LPE(18:1)
LPE 18:1
ME367000
-
-
6.16
480.3073
LPC(P-16:0)/LPC(O-16:1)
LPC P-16:0 or LPC O-16:1
ME366987
-
-
7.55
480.3441
LPE(18:0)_B
LPE 18:0
ME366999
-
-
7.77
482.3231
LPE(18:0)_A
LPE 18:0
ME366998
-
-
6.14
482.3233
LPC(16:1)
LPC 16:1
ME366986
-
-
7.77
494.3230
LPC(0:0/16:0)
LPC 0:0/16:0
ME366985
-
-
7.71
496.3389
LPC(P-18:0)/LPC(O-18:1)_B
LPC P-18:0 or LPC O-18:1
ME366991
-
-
7.42
508.3740
LPC(P-18:0)/LPC(O-18:1)_A
LPC P-18:0 or LPC O-18:1
ME366990
-
-
7.75
508.3742
LPC(18:3)
LPC 18:3
ME366993
-
-
7.70
518.3210
LPC(0:0/18:2)
LPC 0:0/18:2
ME366992
-
-
7.71
520.3391
LPC(18:1)
LPC 18:1
ME366989
-
-
7.63
522.3546
LPC(18:0)
LPC 18:0
ME366988
-
-
7.58
524.3703
LPC(20:4)
LPC 20:4
ME366996
-
-
6.65
544.3388
LPC(20:3)
LPC 20:3
ME366995
-
-
7.60
546.3523
LPC(20:1)
LPC 20:1
ME366994
-
-
7.54
550.3845
Biliverdin
Biliverdin
ME367080
-
-
1.88
583.2542
Bilirubin
Bilirubin
ME367027
-
-
1.58
585.2695
L-Urobilin
L-Urobilin
ME367045
-
-
6.53
595.3479
SM(d18:1/16:0)
SM 18:1;O2/16:0
ME367003
-
-
7.20
703.5734
Methylguanidine
Methylguanidine
ME367008
-
-
6.71
74.0720
Glycine
Glycine
ME366901
-
-
7.79
76.0400
Trimethylamine N-oxide
Trimethylamine N-oxide
ME366945
-
-
8.01
76.0764
Putrescine
Putrescine
ME366955
-
-
9.29
89.1079
Alanine
Alanine
ME366902
-
-
7.68
90.0555
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
palmitoyl-EA
Palmitoyl-EA
ME367139
-
-
4.97
300.2899
sphingosine
Sphingosine
ME367138
-
-
4.23
300.2899
MG(14:1)
MG 14:1
ME367169
-
-
4.49
323.2196
linoleoyl-EA
Linoleoyl-EA
ME367140
-
-
4.81
324.2899
oleoyl-EA
Oleoyl-EA
ME367141
-
-
5.16
326.3056
MG(16:1)
MG 16:1
ME367170
-
-
4.89
339.2508
MG(18:0)
MG 18:0
ME367171
-
-
5.79
381.2977
7-dehydro-desmosterol
7-Dehydro-desmosterol
ME367146
-
-
6.62
383.3311
MG(22:1)
MG 22:1
ME367172
-
-
6.86
435.3447
LPE(16:1)
LPE 16:1
ME367102
-
-
4.51
452.2773
LPE(16:0)
LPE 16:0
ME367103
-
-
4.82
454.2932
LPC(14:0)
LPC 14:0
ME367095
-
-
4.32
468.3092
LPE(18:2)
LPE 18:2
ME367104
-
-
4.66
478.2936
LPE(18:1)
LPE 18:1
ME367105
-
-
4.99
480.3089
LPE(18:0)
LPE 18:0
ME367106
-
-
5.38
482.3247
LPC(16:1)
LPC 16:1
ME367096
-
-
4.47
494.3248
LPC(16:0)
LPC 16:0
ME367097
-
-
4.81
496.3405
LPE(20:0)
LPE 20:0
ME367107
-
-
5.09
510.3561
LPC(20:3)
LPC 20:3
ME367101
-
-
4.81
518.3222
LPC(18:2)
LPC 18:2
ME367098
-
-
4.64
520.3405
LPC(18:1)
LPC 18:1
ME367099
-
-
4.99
522.3560
LPC(18:0)
LPC 18:0
ME367100
-
-
5.38
524.3717
LPE(22:0)
LPE 22:0
ME367108
-
-
5.70
538.3873
Cer(d18:1/16:0)
Cer 18:1;O2/16:0
ME367142
-
-
8.26
538.5200
DG(30:0)
DG 30:0
ME367173
-
-
8.63
563.4652
DG(32:2)
DG 32:2
ME367174
-
-
8.45
587.4652
DG(32:1)
DG 32:1
ME367175
-
-
8.77
589.4808
DG(32:0)
DG 32:0
ME367176
-
-
9.10
591.4963
DG(34:3)
DG 34:3
ME367177
-
-
8.63
613.4807
DG(34:2)
DG 34:2
ME367178
-
-
8.92
615.4962
DG(34:1)
DG 34:1
ME367179
-
-
9.22
617.5119
DG(34:0)
DG 34:0
ME367180
-
-
9.53
619.5276
CE(14:0)
CE 14:0
ME367156
-
-
11.67
619.5429
PC(12:0/12:0)
PC 12:0/12:0
ME367094
-
-
6.45
622.4446
Cer(d18:1/22:0)
Cer 18:1;O2/22:0
ME367143
-
-
9.64
622.6136
DG(36:4)
DG 36:4
ME367185
-
-
8.74
639.4962
DG(36:3)
DG 36:3
ME367181
-
-
9.04
641.5118
DG(36:2)
DG 36:2
ME367182
-
-
9.34
643.5274
DG(36:1)
DG 36:1
ME367183
-
-
9.65
645.5432
CE(16:1)
CE 16:1
ME367157
-
-
11.77
645.5585
DG(36:0)
DG 36:0
ME367184
-
-
9.95
647.5589
CE(16:0)
CE 16:0
ME367158
-
-
12.09
647.5745
Cer(d18:1/24:1)
Cer 18:1;O2/24:1
ME367145
-
-
9.69
648.6295
Cer(d18:1/24:0)
Cer 18:1;O2/24:0
ME367144
-
-
10.06
650.6448
DG(38:5)
DG 38:5
ME367186
-
-
9.01
665.5123
CE(18:3)
CE 18:3
ME367159
-
-
11.58
669.5584
CE(18:2)
CE 18:2
ME367160
-
-
11.86
671.5740
CE(18:1)
CE 18:1
ME367161
-
-
12.17
673.5898
SM(d18:1/14:0)
SM 18:1;O2/14:0
ME367147
-
-
7.65
675.5435
CE(18:0)
CE 18:0
ME367162
-
-
12.50
675.6055
PE(32:1)
PE 32:1
ME367127
-
-
8.25
690.5073
PE(32:0)
PE 32:0
ME367128
-
-
7.82
692.5220
CE(20:5)
CE 20:5
ME367163
-
-
11.42
693.5582
CE(20:4)
CE 20:4
ME367164
-
-
11.70
695.5740
CE(20:3)
CE 20:3
ME367165
-
-
11.95
697.5897
PE(P-34:2)/PE(O-34:3)
PE P-34:2 or PE O-34:3
ME367135
-
-
8.72
700.5264
SM(d18:1/16:1)
SM 18:1;O2/16:1
ME367148
-
-
7.80
701.5592
PE(P-34:1)/PE(O-34:2)
PE P-34:1 or PE O-34:2
ME367134
-
-
9.01
702.5423
SM(d18:1/16:0)
SM 18:1;O2/16:0
ME367149
-
-
8.13
703.5750
PC(30:0)
PC 30:0
ME367109
-
-
8.09
706.5380
PE(34:2)
PE 34:2
ME367129
-
-
8.40
716.5229
CE(22:6)
CE 22:6
ME367166
-
-
11.56
719.5741
PE(34:0)
PE 34:0
ME367130
-
-
8.34
720.5546
CE(22:5)
CE 22:5
ME367167
-
-
11.81
721.5894
CE(22:4)
CE 22:4
ME367168
-
-
12.07
723.6053
PE(P-36:2)/PE(O-36:3)
PE P-36:2 or PE O-36:3
ME367136
-
-
9.16
728.5593
SM(d18:1/18:0)
SM 18:1;O2/18:0
ME367150
-
-
8.63
731.6069
PC(32:1)
PC 32:1
ME367110
-
-
8.26
732.5540
PC(32:0)
PC 32:0
ME367111
-
-
8.58
734.5697
PE(36:3)
PE 36:3
ME367131
-
-
8.56
742.5384
PC(P-34:2)/PC(O-34:3)
PC P-34:2 or PC O-34:3
ME367126
-
-
8.71
742.5742
PE(36:2)
PE 36:2
ME367132
-
-
8.84
744.5542
PC(P-34:1)/PC(O-34:2)
PC P-34:1 or PC O-34:2
ME367124
-
-
9.03
744.5947
TG(42:0)
TG 42:0
ME367187
-
-
10.92
745.6318
PC(P-34:0)/PC(O-34:1)
PC P-34:0 or PC O-34:1
ME367125
-
-
9.02
746.6060
PE(36:0)
PE 36:0
ME367133
-
-
8.76
748.5854
PC(34:3)
PC 34:3
ME367112
-
-
8.11
756.5530
PC(34:2)
PC 34:2
ME367113
-
-
8.40
758.5695
SM(d18:1/20:0)
SM 18:1;O2/20:0
ME367151
-
-
9.16
759.6379
PC(34:1)
PC 34:1
ME367114
-
-
8.71
760.5855
PC(34:0)
PC 34:0
ME367115
-
-
9.03
762.6007
TG(44:2)
TG 44:2
ME367188
-
-
10.79
769.6318
TG(44:1)
TG 44:1
ME367189
-
-
11.01
771.6474
TG(44:0)
TG 44:0
ME367190
-
-
11.28
773.6632
PC(36:4)_B
PC 36:4
ME367117
-
-
8.43
782.5690
PC(36:4)_A
PC 36:4
ME367116
-
-
8.23
782.5700
PC(36:3)
PC 36:3
ME367118
-
-
8.60
784.5851
SM(d18:1/22:1)
SM 18:1;O2/22:1
ME367152
-
-
9.25
785.6534
TG(45:1)
TG 45:1
ME367192
-
-
11.18
785.6632
PC(36:2)
PC 36:2
ME367119
-
-
8.87
786.6012
SM(d18:1/22:0)
SM 18:1;O2/22:0
ME367153
-
-
9.55
787.6688
TG(45:0)
TG 45:0
ME367191
-
-
11.45
787.6778
PC(36:1)
PC 36:1
ME367120
-
-
9.16
788.6167
PS(36:1)
PS 36:1
ME367137
-
-
8.81
790.5630
TG(46:4)
TG 46:4
ME367193
-
-
10.60
793.6320
TG(46:3)
TG 46:3
ME367194
-
-
10.87
795.6478
TG(46:2)
TG 46:2
ME367195
-
-
11.12
797.6636
TG(46:1)
TG 46:1
ME367196
-
-
11.37
799.6789
TG(46:0)
TG 46:0
ME367197
-
-
11.62
801.6946
PC(38:6)
PC 38:6
ME367121
-
-
8.37
806.5693
PC(38:4)
PC 38:4
ME367122
-
-
8.89
810.6003
PC(38:3)
PC 38:3
ME367123
-
-
9.04
812.6169
SM(d18:1/24:1)
SM 18:1;O2/24:1
ME367154
-
-
9.59
813.6846
TG(47:1)
TG 47:1
ME367198
-
-
11.54
813.6944
SM(d18:1/24:0)
SM 18:1;O2/24:0
ME367155
-
-
9.98
815.7005
TG(47:0)
TG 47:0
ME367199
-
-
11.78
815.7101
TG(48:4)
TG 48:4
ME367200
-
-
10.95
821.6632
TG(48:3)
TG 48:3
ME367201
-
-
11.20
823.6789
TG(48:2)
TG 48:2
ME367202
-
-
11.46
825.6946
TG(48:1)
TG 48:1
ME367203
-
-
11.70
827.7105
TG(48:0)
TG 48:0
ME367204
-
-
11.95
829.7258
TG(49:3)
TG 49:3
ME367205
-
-
11.38
837.6946
TG(49:2)
TG 49:2
ME367206
-
-
11.62
839.7110
TG(49:1)
TG 49:1
ME367207
-
-
11.87
841.7259
TG(49:0)
TG 49:0
ME367208
-
-
12.13
843.7416
TG(50:5)
TG 50:5
ME367209
-
-
11.04
847.6789
TG(50:4)
TG 50:4
ME367210
-
-
11.29
849.6948
TG(50:3)
TG 50:3
ME367211
-
-
11.55
851.7102
TG(50:2)
TG 50:2
ME367212
-
-
11.79
853.7255
TG(50:1)
TG 50:1
ME367213
-
-
12.05
855.7417
TG(50:0)
TG 50:0
ME367214
-
-
12.32
857.7571
TG(51:3)
TG 51:3
ME367215
-
-
11.72
865.7274
TG(51:2)
TG 51:2
ME367216
-
-
11.95
867.7414
TG(51:1)
TG 51:1
ME367217
-
-
12.21
869.7573
TG(52:7)
TG 52:7
ME367219
-
-
10.92
871.6791
TG(51:0)
TG 51:0
ME367218
-
-
12.49
871.7731
TG(52:6)
TG 52:6
ME367220
-
-
11.15
873.6948
TG(52:5)
TG 52:5
ME367221
-
-
11.40
875.7103
TG(52:4)
TG 52:4
ME367222
-
-
11.64
877.7259
TG(52:3)
TG 52:3
ME367223
-
-
11.89
879.7415
TG(52:2)
TG 52:2
ME367224
-
-
12.15
881.7573
TG(52:1)
TG 52:1
ME367225
-
-
12.40
883.7729
TG(52:0)
TG 52:0
ME367226
-
-
12.68
885.7888
TG(53:3)
TG 53:3
ME367227
-
-
12.07
893.7570
TG(54:9)
TG 54:9
ME367229
-
-
10.95
895.6786
TG(53:2)
TG 53:2
ME367228
-
-
12.32
895.7721
TG(54:8)
TG 54:8
ME367230
-
-
11.00
897.6949
TG(54:7)
TG 54:7
ME367231
-
-
11.40
899.7099
TG(54:6)
TG 54:6
ME367232
-
-
11.49
901.7247
TG(54:5)
TG 54:5
ME367233
-
-
11.74
903.7415
TG(54:4)
TG 54:4
ME367234
-
-
11.99
905.7571
TG(54:3)
TG 54:3
ME367235
-
-
12.27
907.7725
TG(54:2)
TG 54:2
ME367236
-
-
12.50
909.7884
TG(54:1)
TG 54:1
ME367237
-
-
12.78
911.8045
TG(55:3)
TG 55:3
ME367238
-
-
12.42
921.7891
TG(55:2)
TG 55:2
ME367239
-
-
12.69
923.8060
TG(56:8)
TG 56:8
ME367240
-
-
11.46
925.7261
TG(56:7)
TG 56:7
ME367241
-
-
11.70
927.7422
TG(56:6)
TG 56:6
ME367242
-
-
11.95
929.7563
TG(56:5)
TG 56:5
ME367243
-
-
12.07
931.7724
TG(56:4)
TG 56:4
ME367244
-
-
12.33
933.7888
TG(56:3)
TG 56:3
ME367245
-
-
12.59
935.8045
TG(56:2)
TG 56:2
ME367246
-
-
12.89
937.8172
TG(56:1)
TG 56:1
ME367247
-
-
13.20
939.8363
TG(58:6)
TG 58:6
ME367248
-
-
12.16
957.7879
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Isovaleric acid
Isovaleric acid
ME367284
-
-
3.55
101.0608
Malonic acid
Malonic acid
ME367317
-
-
5.00
103.0037
Glyceric acid
Glyceric acid
ME367305
-
-
4.10
105.0193
Pyrocatechol
Pyrocatechol
ME367258
-
-
1.40
109.0295
Uracil
Uracil
ME367259
-
-
1.50
111.0200
Fumaric acid/Maleic acid
-
ME367334
-
-
7.05
115.0037
Caproic acid
Caproic acid
ME367281
-
-
3.50
115.0765
Succinic acid
Succinic acid
ME367330
-
-
6.90
117.0193
Threonine
Threonine
ME367282
-
-
3.50
118.0510
4-Hydroxystyrene
4-Hydroxystyrene
ME367253
-
-
1.20
119.0502
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME367267
-
-
2.45
121.0295
Benzoic acid
Benzoic acid
ME367300
-
-
4.00
121.0295
Nicotinic acid
Nicotinic acid
ME367303
-
-
4.05
122.0248
4-Methylcatechol
4-Methylcatechol
ME367255
-
-
1.30
123.0452
Taurine
Taurine
ME367285
-
-
3.60
124.0074
Thymine
Thymine
ME367257
-
-
1.35
125.0357
N-Acetylalanine
N-Acetylalanine
ME367296
-
-
3.90
130.0510
2-Hydroxy-3-methyl-pentanoic acid
2-Hydroxy-3-methyl-pentanoic acid
ME367277
-
-
3.40
131.0714
Aspartic acid
Aspartic acid
ME367321
-
-
5.25
132.0302
4-Hydroxybenzeneacetonitrile
4-Hydroxybenzeneacetonitrile
ME367254
-
-
1.20
132.0455
Malic acid
Malic acid
ME367331
-
-
6.95
133.0142
Adenine
Adenine
ME367266
-
-
2.25
134.0472
Erythronic acid
Erythronic acid
ME367309
-
-
4.40
135.0299
Hypoxanthine
Hypoxanthine
ME367278
-
-
3.40
135.0312
Phenylacetic acid
Phenylacetic acid
ME367289
-
-
3.70
135.0452
Caprylic acid
Caprylic acid
ME367279
-
-
3.40
143.1078
Oxoglutaric acid
2-Oxoglutaric acid
ME367335
-
-
7.35
145.0142
Adipic acid
Adipic acid
ME367329
-
-
6.80
145.0506
Lithocholic acid
Lithocholic acid
ME367292
-
-
3.80
145.0983
Glutamic acid
Glutamic acid
ME367320
-
-
5.20
146.0459
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME367333
-
-
7.00
147.0299
Hydrocinnamic acid
Hydrocinnamic acid
ME367286
-
-
3.60
149.0608
Guanine
Guanine
ME367270
-
-
2.80
150.0421
Xanthine
Xanthine
ME367316
-
-
4.95
151.0261
Gentisic acid
Gentisic acid
ME367315
-
-
4.60
153.0193
Orotic acid
Orotic acid
ME367313
-
-
4.50
155.0098
4,5-Dihydroorotic acid
4,5-Dihydroorotic acid
ME367306
-
-
4.10
157.0255
3-Methyladipic acid/Pimelic acid
-
ME367326
-
-
6.75
159.0663
Aminoadipic acid
Aminoadipic acid
ME367322
-
-
5.25
160.0615
Phenyllactic acid
Phenyllactic acid
ME367272
-
-
3.05
164.0717
3-Methylxanthine
3-Methylxanthine
ME367275
-
-
3.15
165.0418
Quinolinic acid
Quinolinic acid
ME367337
-
-
7.45
166.0146
Uric acid
Uric acid
ME367323
-
-
5.25
167.0211
Shikimic acid
Shikimic acid
ME367314
-
-
4.55
173.0455
Suberic acid
Suberic acid
ME367327
-
-
6.75
173.0819
Vitamin C
Vitamin C
ME367339
-
-
8.90
175.0248
Gluconolactone
Gluconolactone
ME367256
-
-
1.30
177.0405
Hippuric acid
Hippuric acid
ME367297
-
-
3.90
178.0510
Glucose/Fructose/Galactose
Hexose
ME367263
-
-
1.85
179.0561
Myo-inositol
Myo-inositol
ME367269
-
-
2.70
179.0561
Homovanillic acid
Homovanillic acid
ME367310
-
-
4.40
181.0506
Sorbitol
Sorbitol
ME367264
-
-
2.00
181.0718
4-Pyridoxic acid
4-Pyridoxic acid
ME367288
-
-
3.65
182.0459
Azelaic acid
Azelaic acid
ME367332
-
-
6.95
187.0976
N6-Acetyllysine
N6-Acetyllysine
ME367273
-
-
3.10
187.1088
3-Indolepropionic acid
3-Indolepropionic acid
ME367312
-
-
4.45
188.0717
2,6-Diaminopimelic acid
2,6-Diaminopimelic acid
ME367319
-
-
5.05
189.0881
Citric acid/Isocitric acid
Citric acid/Isocitric acid
ME367340
-
-
9.00
191.0197
Quinic acid
Quinic acid
ME367308
-
-
4.30
191.0561
Glucuronic acid
Glucuronic acid
ME367318
-
-
5.00
193.0354
Salicyluric acid
Salicyluric acid
ME367325
-
-
6.10
194.0459
Sebacic acid
Sebacic acid
ME367328
-
-
6.75
201.1132
Xanthurenic acid
Xanthurenic acid
ME367338
-
-
8.30
204.0302
Indolelactic acid
Indolelactic acid
ME367311
-
-
4.40
204.0666
Pantothenic acid
Pantothenic acid
ME367298
-
-
3.90
218.1034
Cystathionine
Cystathionine
ME367324
-
-
5.35
221.0602
N-Acetyltyrosine
N-Acetyltyrosine
ME367301
-
-
4.00
222.0772
Tetrahydroharman-3-carboxylic acid
Tetrahydroharman-3-carboxylic acid
ME367290
-
-
3.70
229.0983
Cytidine
Cytidine
ME367265
-
-
2.20
242.0782
Uridine
Uridine
ME367262
-
-
1.75
243.0623
Biotin
Biotin
ME367307
-
-
4.10
243.0809
Ribothymidine
Ribothymidine
ME367260
-
-
1.55
257.0779
Inosine
Inosine
ME367276
-
-
3.35
267.0735
Glycocholic acid-d4 [iSTD]
-
ME367249
-
-
3.35
271.0616
Guanosine
Guanosine
ME367271
-
-
3.00
282.0844
Eicosapentaenoic acid
Eicosapentaenoic acid
ME367274
-
-
3.10
301.2173
Linoleoyl-EA
Linoleoyl-EA
ME367251
-
-
1.10
322.2752
Lactose/Sucrose/Trehalose
-
ME367268
-
-
2.45
341.1089
Corticosterone
Corticosterone
ME367252
-
-
1.15
345.2071
FMN
FMN
ME367261
-
-
1.60
375.1310
Chenodeoxycholic acid/Deoxycholic acid
-
ME367302
-
-
4.00
391.2854
Cholic acid
Cholic acid
ME367304
-
-
4.05
407.2803
Folic acid
Folic acid
ME367341
-
-
10.15
440.1324
Glycodeoxycholic acid/Glycochenodeoxycholic acid
Glycodeoxycholic acid/Glycochenodeoxycholic acid
ME367293
-
-
3.80
448.3068
Glycocholic acid
Glycocholic acid
ME367299
-
-
3.90
464.3018
Thymine-d4 [iSTD]
-
ME367250
-
-
3.90
468.3269
Taurohyodeoxycholic acid/Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME367280
-
-
3.40
498.2895
Taurocholic acid
Taurocholic acid
ME367283
-
-
3.50
514.2844
Bilirubin
Bilirubin
ME367342
-
-
14.60
583.2562
Malondialdehyde
Malondialdehyde
ME367291
-
-
3.75
71.0139
Propionic acid
Propionic acid
ME367295
-
-
3.90
73.0295
Butyric acid
Butyric acid
ME367287
-
-
3.65
87.0452
Oxalic acid
Oxalic acid
ME367336
-
-
7.40
88.9880
Lactic acid
Lactic acid
ME367294
-
-
3.85
89.0244
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
ME367348
-
-
0.88
115.0386
Caproic acid
Caproic acid
ME367349
-
-
5.83
115.0750
4-Hydroxystyrene
4-Hydroxystyrene
ME367418
-
-
2.19
119.0488
Heptylic acid
Heptylic acid
ME367350
-
-
7.46
129.0906
N-Acetylalanine
N-Acetylalanine
ME367427
-
-
0.86
130.0510
Salicylic acid
Salicylic acid
ME367411
-
-
2.89
137.0230
Hydrocinnamic acid
Hydrocinnamic acid
ME367351
-
-
5.85
149.0594
Oxypurinol
Oxypurinol
ME367428
-
-
0.70
151.0248
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME367431
-
-
1.29
151.0387
Mandelic acid
Mandelic acid
ME367352
-
-
1.83
151.0401
3-Methyladipic acid
3-Methyladipic acid
ME367417
-
-
1.25
159.0650
3-Hydroxyoctanoic acid
3-Hydroxyoctanoic acid
ME367353
-
-
5.54
159.1027
Phenyllactic acid
Phenyllactic acid
ME367430
-
-
2.19
165.0544
Capric acid
Capric acid
ME367354
-
-
10.63
171.1391
Indoleacetic acid
Indoleacetic acid
ME367355
-
-
3.90
174.0548
N-Formylmethionine
N-Formylmethionine
ME367425
-
-
1.01
176.0374
Glucose/Fructose/Galactose
Hexose
ME367426
-
-
0.68
179.0549
Saccharin
Saccharin
ME367412
-
-
0.97
181.9906
Azelaic acid
Azelaic acid
ME367413
-
-
3.79
187.0964
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME367356
-
-
8.15
187.1328
Salicyluric acid
Salicyluric acid
ME367414
-
-
1.91
194.0449
1,7-Dimethyluric acid
1,7-Dimethyluric acid
ME367424
-
-
0.86
195.0513
5-Dodecenoic acid
5-Dodecenoic acid
ME367357
-
-
11.33
197.1536
Lauric acid
Lauric acid
ME367358
-
-
12.26
199.1692
Sebacic acid
Sebacic acid
ME367415
-
-
5.80
201.1122
Cinnamoylglycine
Cinnamoylglycine
ME367422
-
-
3.14
204.0666
Undecanedioic acid
Undecanedioic acid
ME367359
-
-
6.83
215.1280
N-Acetyltyrosine
N-Acetyltyrosine
ME367419
-
-
0.97
222.0765
Porphobilinogen
Porphobilinogen
ME367432
-
-
0.86
225.0873
Myristoleic acid
Myristoleic acid
ME367360
-
-
12.61
225.1851
Myristic acid
Myristic acid
ME367361
-
-
13.68
227.2009
Dodecanedioic acid
Dodecanedioic acid
ME367362
-
-
7.68
229.1445
Pentadecylic acid
Pentadecylic acid
ME367363
-
-
14.31
241.2166
2-Hydroxymyristic acid
2-Hydroxymyristic acid
ME367364
-
-
12.18
243.1959
Palmitoleic acid
Palmitoleic acid
ME367365
-
-
13.89
253.2168
Palmitic acid
Palmitic acid
ME367366
-
-
14.86
255.2325
Ribothymidine
Ribothymidine
ME367434
-
-
0.85
257.0776
Tetradecanedioic acid
Tetradecanedioic acid
ME367367
-
-
9.10
257.1753
10Z-Heptadecenoic acid
10Z-Heptadecenoic acid
ME367368
-
-
14.46
267.2325
Margaric acid
Margaric acid
ME367369
-
-
15.37
269.2482
2-Hydroxypalmitic acid
2-Hydroxypalmitic acid
ME367370
-
-
13.63
271.2275
alpha-CEHC
alpha-CEHC
ME367420
-
-
7.72
277.1440
alpha-Linolenic acid
alpha-Linolenic acid
ME367371
-
-
13.44
277.2169
Linoleic acid
Linoleic acid
ME367372
-
-
14.17
279.2327
Oleic acid
Oleic acid
ME367373
-
-
14.98
281.2484
Stearic acid
Stearic acid
ME367374
-
-
15.82
283.2639
Hexadecanedioic acid
Hexadecanedioic acid
ME367375
-
-
10.44
285.2066
13-HODE
13-HODE
ME367346
-
-
11.27
295.2274
Nonadeca-10Z-enoic acid
Nonadeca-10Z-enoic acid
ME367376
-
-
15.46
295.2637
17-Methyloctadecanoic acid
Xi-17-Methyloctadecanoic acid
ME367378
-
-
16.12
297.2793
Nonadecylic acid
Nonadecylic acid
ME367377
-
-
16.26
297.2794
Eicosapentaenoic acid
Eicosapentaenoic acid
ME367379
-
-
13.31
301.2169
Arachidonic acid
Arachidonic acid
ME367380
-
-
14.00
303.2327
Eicosatrienoic acid
Eicosatrienoic acid
ME367381
-
-
14.49
305.2483
Warfarin
Warfarin
ME367416
-
-
8.71
307.0976
11Z,14Z-Eicosadienoic acid
11Z,14Z-Eicosadienoic acid
ME367382
-
-
15.13
307.2638
Eicosenoic acid
Eicosenoic acid
ME367383
-
-
15.86
309.2795
Phytanic acid
Phytanic acid
ME367385
-
-
16.07
311.2951
Arachidic acid
Arachidic acid
ME367384
-
-
16.72
311.2952
12,13-DiHOME
12,13-DiHOME
ME367344
-
-
9.82
313.2381
9,10-DiHOME
9,10-DiHOME
ME367345
-
-
10.01
313.2381
DHA
DHA
ME367386
-
-
13.79
327.2327
Carnosol
Carnosol
ME367421
-
-
10.43
329.1752
DPA
DPA
ME367387
-
-
14.14
329.2481
Adrenic acid
Adrenic acid
ME367388
-
-
14.78
331.2638
5,6-DiHETE
5,6-DiHETE
ME367347
-
-
10.98
335.2225
cis-Erucic acid
cis-Erucic acid
ME367389
-
-
16.69
337.3108
Eicosanedioic acid
Eicosanedioic acid
ME367390
-
-
12.98
341.2697
Palmitoyl-EA
Palmitoyl-EA
ME367429
-
-
13.37
344.2800
PGE2-d4 [iSTD]
-
ME367343
-
-
7.73
355.2421
Lithocholic acid
Lithocholic acid
ME367393
-
-
12.06
375.2896
Chenodeoxycholic acid
Chenodeoxycholic acid
ME367394
-
-
10.19
391.2846
Hyodeoxycholic acid/Ursodeoxycholic acid
-
ME367396
-
-
8.90
391.2846
Deoxycholic acid
Deoxycholic acid
ME367395
-
-
10.39
391.2849
Pregnenolone sulfate
Pregnenolone sulfate
ME367433
-
-
8.42
395.1891
7-Ketodeoxycholic acid
7-Ketodeoxycholic acid
ME367397
-
-
8.01
405.2639
alpha-Muricholic acid
alpha-Muricholic acid
ME367398
-
-
7.79
407.2787
Cholic acid
Cholic acid
ME367399
-
-
8.78
407.2796
Glycolithocholic acid
Glycolithocholic acid
ME367400
-
-
10.51
432.3111
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME367403
-
-
7.73
448.3061
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME367401
-
-
8.89
448.3063
Glycodeoxycholic acid
Glycodeoxycholic acid
ME367402
-
-
9.12
448.3063
Oleanolic acid
Oleanolic acid
ME367391
-
-
13.54
455.3524
Glycocholic acid
Glycocholic acid
ME367404
-
-
7.76
464.3009
Maslinic acid
Maslinic acid
ME367392
-
-
11.46
471.3471
Taurolithocholic acid
Taurolithocholic acid
ME367405
-
-
9.44
482.2929
Taurohyodeoxycholic acid/Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME367408
-
-
7.00
498.2886
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME367406
-
-
8.03
498.2888
Taurodeoxycholic acid
Taurodeoxycholic acid
ME367407
-
-
8.28
498.2889
Tauro-alpha-muricholic acid/Tauro-beta-muricholic ...
Tauromuricholic acid
ME367409
-
-
6.12
514.2833
Taurocholic acid
Taurocholic acid
ME367410
-
-
7.12
514.2834
20-Hydroxyecdysone
20-Hydroxyecdysone
ME367423
-
-
2.37
525.3061
L-Urobilin
L-Urobilin
ME367435
-
-
6.22
593.3327
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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