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Return to study ST002470 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
Dimethylglycine
Dimethylglycine
ME583060
-
-
8.56
104.0705
Aminoisobutyric acid
Aminoisobutyric acid
ME582996
-
-
7.98
104.07061
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME583063
-
-
7.9
104.07061
Choline
Choline
ME583044
-
-
8.32
104.1068
Serine
Serine
ME583176
-
-
7.64
106.0498
Diethanolamine
Diethanolamine
ME583058
-
-
7.56
106.0862
Hypotaurine
Hypotaurine
ME583217
-
-
8
110.0269
Cytosine
Cytosine
ME583050
-
-
6.22
112.0504
Histamine
Histamine
ME583074
-
-
9.23
112.0868
Creatinine
Creatinine
ME583048
-
-
6.53
114.0662
Proline
Proline
ME583172
-
-
8.14
116.0706
Guanidoacetic acid
Guanidoacetic acid
ME583073
-
-
7.87
118.0612
Betaine
Betaine
ME583002
-
-
9.02
118.0862
Valine
Valine
ME583204
-
-
7.67
118.086243
Threonine
Threonine
ME583193
-
-
7.56
120.0658
Niacinamide
Niacinamide
ME583221
-
-
3.84
123.0556
Nicotinic acid
Nicotinic acid
ME583140
-
-
3.71
124.0395
Taurine
Taurine
ME583189
-
-
6.08
126.022
1-Methylhistamine
1-Methylhistamine
ME582977
-
-
9.78
126.102642
N-methylhistamine
1-Methylhistamine
ME583142
-
-
9.78
126.102642
Valine-d8 [iSTD]
-
ME583205
-
-
7.69
126.136513
Pipecolic acid
Pipecolic acid
ME583168
-
-
8.02
130.0861
N-Methyl-proline
N-Methyl-proline
ME583143
-
-
8.67
130.0862
N-Acetylputrescine
N-Acetylputrescine
ME583139
-
-
7.98
131.1178
Agmatine
Agmatine
ME582991
-
-
9.31
131.129257
Hydroxyproline
Hydroxyproline
ME583076
-
-
7.87
132.0655
5-Amino-levulinic acid
5-Amino-levulinic acid
ME582986
-
-
8.15
132.06559
Creatine
Creatine
ME583047
-
-
8.33
132.0767
Isoleucine
Isoleucine
ME583082
-
-
7.36
132.101944
Leucine
Leucine
ME583085
-
-
7.22
132.101944
Asparagine
Asparagine
ME582999
-
-
7.87
133.0607
Ureidopropionic acid
Ureidopropionic acid
ME583200
-
-
4.32
133.060837
Ornithine
Ornithine
ME583146
-
-
9.26
133.0971
Aspartic acid
Aspartic acid
ME583000
-
-
8.18
134.044815
Hypoxanthine
Hypoxanthine
ME583077
-
-
4.87
137.0454
1-Methyl nicotinamide
1-Methyl nicotinamide
ME582974
-
-
8.27
137.0707
2-Aminobenzoic acid
2-Aminobenzoic acid
ME582978
-
-
2
138.0547
Trigonelline
Trigonelline
ME583197
-
-
8.92
138.0547
Urocanic acid
Urocanic acid
ME583202
-
-
4.51
139.0499
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME583119
-
-
8.87
141.0655
Imidazolepropionic acid
Imidazolepropionic acid
ME583080
-
-
7.69
141.065903
Ectoine
Ectoine
ME583062
-
-
8.95
143.0813
Proline betaine
Proline betaine
ME583173
-
-
9.31
144.1016
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME582983
-
-
3.59755
146.0812597
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME583209
-
-
7.35
146.0921
3-Dehydroxycarnitine
3-Dehydroxycarnitine
ME582980
-
-
8.78
146.1173
Glutamine
Glutamine
ME583066
-
-
8.02
147.0761
Glutamic acid
Glutamic acid
ME583065
-
-
7.59
148.0601
O-ethyl-homoserine
O-Ethylhomoserine
ME583144
-
-
7.49
148.0965
Methionine
Methionine
ME583116
-
-
7.05
150.0581
Triethanolamine
Triethanolamine
ME583196
-
-
7.75
150.1122
S-Methylcysteine S-oxide
S-Methylcysteine S-oxide
ME583182
-
-
8.58
152.0383
Acetaminophen
Acetaminophen
ME582988
-
-
2.03
152.0704
Xanthine
Xanthine
ME583206
-
-
3.81
153.0405
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME583126
-
-
4.37
153.0656
Mesalamine
-
ME583115
-
-
3.98
154.0496
Histidine
Histidine
ME583075
-
-
9.12
156.0766
Allantoin
Allantoin
ME583211
-
-
3.6956
159.051385
2-Aminooctanoic acid
2-Aminocaprylic acid
ME583223
-
-
6.48
160.132999999999
Ala-Ala
Ala-Ala
ME582992
-
-
7.94
161.0918
N(6)-Methyllysine
N(6)-Methyllysine
ME583123
-
-
9.68
161.1282
Carnitine
Carnitine
ME583032
-
-
8.82
162.1121
Methionine sulfoxide
Methionine sulfoxide
ME583117
-
-
8.63
166.0531
7-Methylguanine
7-Methylguanine
ME582987
-
-
5.82
166.0721
1-Methylguanine
1-Methylguanine
ME582975
-
-
5.37
166.0724565
Phenylalanine
Phenylalanine
ME583164
-
-
6.97
166.086319
3-Methylxanthine
3-Methylxanthine
ME582982
-
-
3.36
167.0562
7-Methylxanthine
7-Methylxanthine
ME583210
-
-
3.68
167.0562
Uric acid
Uric acid
ME583201
-
-
4.29
169.0353
Lysine
Lysine
ME583218
-
-
9.58
169.0948
3-Methylhistidine
3-Methylhistidine
ME582981
-
-
9.77
170.0922
Metronidazole
Metronidazole
ME583219
-
-
2.76
172.0714
Gly-Pro
Gly-Pro
ME583072
-
-
8.98
173.0919
Pro-Gly
Pro-Gly
ME583171
-
-
8.5
173.0919
N-Acetylleucine
N-Acetylleucine
ME583137
-
-
2.68
174.1123
Phenylalanine-d8 [iSTD]
-
ME583165
-
-
6.98
174.136505
N-Acetylornithine
N-Acetylornithine
ME583138
-
-
8.43
175.1076
Arginine
Arginine
ME582998
-
-
9.14
175.1188
N(6),N(6)-Dimethyl-lysine
N(6),N(6)-Dimethyl-lysine
ME583122
-
-
10.25
175.1439
N-Acetylaspartic acid
N-Acetylaspartic acid
ME583132
-
-
4.37
176.0552
Citrulline
Citrulline
ME583046
-
-
8.35
176.1028
Serotonin
Serotonin
ME583177
-
-
6.34
177.1021
Hippuric acid
Hippuric acid
ME583229
-
-
2.6
180.0653
Theobromine
Theobromine
ME583191
-
-
3.28
181.0718
Tyrosine
Tyrosine
ME583199
-
-
7.08
182.081299
4-Pyridoxic acid
4-Pyridoxic acid
ME582984
-
-
4.22
184.0603
Choline phosphate
Choline phosphate
ME583045
-
-
11.15
184.073456
Acisoga
Acisoga
ME582989
-
-
5.74
185.1283
Pro-Ala/Ala-Pro
-
ME583170
-
-
8.19
187.1076
N1-Acetylspermidine
N1-Acetylspermidine
ME583125
-
-
9.86
188.1756
N6-Acetyllysine
N6-Acetyllysine
ME583128
-
-
8.4
189.1232
Homoarginine
Homoarginine
ME583216
-
-
9.22
189.1345
Targinine
Targinine
ME583188
-
-
9.37
189.1345
N-6-Trimethyllysine
N-6-Trimethyllysine
ME583129
-
-
11.21
189.1596
Kynurenic acid
Kynurenic acid
ME583083
-
-
5.28
190.0497
N-Acetylglutamic acid
N-Acetylglutamic acid
ME583134
-
-
4.4
190.0709
4-Aminohippuric acid
4-Aminohippuric acid
ME583208
-
-
2.38
195.0764
Caffeine
Caffeine
ME583009
-
-
2.93
195.0876
N-acetyl-5-Aminosalicylic acid
-
ME583130
-
-
3.18
196.0604
N-Acetylhistidine
N-Acetylhistidine
ME583135
-
-
8.35
198.0848
5-Acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME582985
-
-
5.34
199.0824
tridecylamine
Tridecylamine
ME583195
-
-
5.89
200.2372
DMGV
DMGV
ME583215
-
-
8.07575
202.118762
N-Acetylisoputreanine
N-Acetylisoputreanine
ME583136
-
-
8.19
203.1389
Symmetric dimethyl-arginine
Symmetric dimethylarginine
ME583187
-
-
9.82
203.150299
Dimethylarginine
Dimethylarginine
ME583059
-
-
9.92
203.150314
D-N-Acetylgalactosamine
-
ME583061
-
-
5.39
204.0866
CAR 2:0
CAR 2:0
ME583020
-
-
8.69
204.1228
Lys-Gly
Lys-Gly
ME583114
-
-
9.72
204.1341
Tryptophan
Tryptophan
ME583198
-
-
6.76
205.097137
Monoethylglycinexylidide
Monoethylglycinexylidide
ME583120
-
-
6.27
207.149
Tetradecylamine
Tetradecylamine
ME583190
-
-
5.95
214.2527
N-Acetylarginine
N-Acetylarginine
ME583131
-
-
8.19
217.1293
CAR 3:0
CAR 3:0
ME583022
-
-
8.36
218.1385
Pantothenic acid
Pantothenic acid
ME583148
-
-
3.02
220.1177
N-Acetyl-D-galactosamine
N-Acetylgalactosamine
ME583133
-
-
5.39
222.0969
myristoleate
Myristoleic acid
ME583121
-
-
1.69
227.2004
Ile-Val
Ile-Val
ME583079
-
-
6.89
231.17
Gly-Arg
Gly-Arg
ME583067
-
-
9.57
232.1401
CAR 4:0
CAR 4:0
ME583023
-
-
8.05
232.154
Cystine
Cystine
ME583214
-
-
9.29
241.031036
Anserine
Anserine
ME582997
-
-
10.52
241.1292
CAR 5:1
CAR 5:1
ME583026
-
-
7.91
244.154
Pseudouridine
Pseudouridine
ME583222
-
-
4.2
245.0765
Leu-Leu
Leu-Leu
ME583086
-
-
6.58
245.1856
CAR 5:0
CAR 5:0
ME583025
-
-
7.84
246.1696
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME583230
-
-
2.91
247.1076125
Lenticin
Lenticin
ME583084
-
-
7.39
247.1437
CAR 4:0;OH
CAR 4:0;OH
ME583024
-
-
8.87
248.1489
sn-Glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME583183
-
-
10.45
258.1097
N-Lauroylglycine
N-Lauroylglycine
ME583141
-
-
2.41
258.205999999999
Ribothymidine
Ribothymidine
ME583175
-
-
2.99
259.092377
CAR 6:0
CAR 6:0
ME583225
-
-
7.61
260.1852
Glu-Ile
Glu-Ile
ME583064
-
-
7.4
261.144
CAR DC3:0;2Me
CAR DC3:0;2Me
ME583029
-
-
8.56
262.1281
Thiamine
Thiamine
ME583192
-
-
9.78
265.1113
alpha-N-Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME582994
-
-
4.61
265.1178
Adenosine
Adenosine
ME582990
-
-
5.06
268.1036
Inosine
Inosine
ME583081
-
-
4.9
269.0876
Retinol
Retinol
ME583174
-
-
1.58
269.2259
(E,E)-Trichostachine_a
(E,E)-Trichostachine
ME582971
-
-
2.03
272.1276
(E,E)-Trichostachine_b
(E,E)-Trichostachine
ME582972
-
-
2.45
272.1276
C16 Sphingosine
C16 Sphingosine
ME583004
-
-
5.9
272.258
Val-Arg/Val-Arg
-
ME583203
-
-
9.29
274.1869
CAR 7:0
CAR 7:0
ME583226
-
-
7.64
274.200958
CAR DC5:0
CAR DC5:0
ME583030
-
-
8.34
276.1436
Leu-Phe
Leu-Phe
ME583087
-
-
6.59
279.1698
Phe-Ile
Phe-Ile
ME583163
-
-
6.34
279.1698
1-Methyladenosine
1-Methyladenosine
ME583207
-
-
7.72
282.1192
Stearamide
Stearamide
ME583186
-
-
1.97
284.2943
N4-Acetylcytidine
N4-Acetylcytidine
ME583220
-
-
4.29
286.1028
Piperine
Piperine
ME583169
-
-
2
286.1432
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME583124
-
-
10.4
287.2436
CAR 8:0
CAR 8:0
ME583027
-
-
7.38
288.2164
C17 Sphinganine
C17 Sphinganine
ME583005
-
-
5.85
288.2891
CAR DC6:0
CAR DC6:0
ME583031
-
-
8.16
290.1593
1-Methylguanosine
1-Methylguanosine
ME582976
-
-
5.12
298.114
Palmitoyl-EA
Palmitoyl-EA
ME583147
-
-
2.03
300.2891
threosphingosine
-
ME583194
-
-
6.01
300.2893
13-cis-Retinoic acid
13-cis-Retinoic acid
ME582973
-
-
1.74
301.2157
CAR 9:0
CAR 9:0
ME583028
-
-
7.25
302.2319
Sphinganine
Sphinganine
ME583185
-
-
5.86
302.3047
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME583127
-
-
5.39
312.1296
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME582979
-
-
5.03
313.0847
Phe-Phe
Phe-Phe
ME583166
-
-
6.28
313.154
CAR 10:1
CAR 10:1
ME583010
-
-
7.23
314.2319
CAR 10:0
CAR 10:0
ME583227
-
-
7.19
316.2476
Ile-Trp
Ile-Trp
ME583078
-
-
6.26
318.1805
Linoleoyl-EA
Linoleoyl-EA
ME583088
-
-
2.02
324.2891
Oleoyl-EA
Oleoyl-EA
ME583145
-
-
2.01
326.3047
p-Acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME583224
-
-
5.36
328.102
C20 Sphingosine
C20 Sphingosine
ME583007
-
-
5.74
328.3203
C20 Sphinganine
C20 Sphinganine
ME583006
-
-
5.87
330.336
glycidyl linoleate
Glycidyl linoleate
ME583068
-
-
1.62
337.273
CAR 12:1
CAR 12:1
ME583012
-
-
7.04
342.2632
CAR 12:0
CAR 12:0
ME583011
-
-
7.02
344.2788
Phe-Trp
Phe-Trp
ME583167
-
-
6.13
352.1649
C22 Sphingosine
C22 Sphingosine
ME583008
-
-
5.63
356.3516
Cortisone
Cortisone
ME583213
-
-
2.03
361.2003
Cortisol
Cortisol
ME583212
-
-
2.03
363.2158
CAR 14:2
CAR 14:2
ME583015
-
-
6.94
368.2788
CAR 14:1
CAR 14:1
ME583014
-
-
6.87
370.2945
CAR 14:0
CAR 14:0
ME583013
-
-
6.87
372.3101
Cholestenone
Cholestenone
ME583043
-
-
1.76
385.3458
Solanidine
Solanidine
ME583184
-
-
5.99
398.3409
CAR 16:0
CAR 16:0
ME583016
-
-
6.76
400.3414
CAR 18:2
CAR 18:2
ME583019
-
-
6.72
424.3414
CAR 18:1
CAR 18:1
ME583018
-
-
6.67
426.356999999999
CAR 18:0
CAR 18:0
ME583017
-
-
6.65
428.3726
alpha-Tocopherol
alpha-Tocopherol
ME582995
-
-
1.69
431.3513
D-alpha-tocopherylquinone
alpha-Tocoquinone
ME583051
-
-
1.69
447.3824
CAR 20:4
CAR 20:4
ME583021
-
-
6.62
448.3415
Glycodeoxycholic acid
Glycodeoxycholic acid
ME583071
-
-
4.22
450.3208
LPE 16:1
LPE 16:1
ME583105
-
-
6.36
452.2765
LPE 16:0
LPE 16:0
ME583104
-
-
6.33
454.2922
Glycocholic acid
Glycocholic acid
ME583070
-
-
5.3
466.3158
LPE P-18:0 or LPE O-18:1
LPE P-18:0 or LPE O-18:1
ME583113
-
-
6.15
466.3286
LPC 14:0
LPC 14:0
ME583089
-
-
7.95
468.3079
LPE 17:0
LPE 17:0
ME583106
-
-
6.3
468.3079
LPE 18:3
LPE 18:3
ME583110
-
-
6.34
476.2754
LPE 18:2
LPE 18:2
ME583109
-
-
6.32
478.2923
LPE 18:1
LPE 18:1
ME583108
-
-
6.28
480.3079
LPC P-16:0 or LPC O-16:1
LPC P-16:0 or LPC O-16:1
ME583101
-
-
7.66
480.3444
LPE 18:0
LPE 18:0
ME583107
-
-
6.26
482.3236
LPC 15:0
LPC 15:0
ME583090
-
-
7.88
482.3238
LPC O-16:0
LPC O-16:0
ME583099
-
-
7.93
482.36
LPC 16:1
LPC 16:1
ME583092
-
-
7.87
494.3239
LPC 16:0
LPC 16:0
ME583091
-
-
7.81
496.3392
LPE 20:4
LPE 20:4
ME583236
-
-
6.27
502.2924
LPE 20:3
LPE 20:3
ME583112
-
-
6.27
504.3075
LPE 20:1
LPE 20:1
ME583237
-
-
7.8
508.3396
LPC P-18:0 or LPC O-18:1
LPC P-18:0 or LPC O-18:1
ME583102
-
-
7.85
508.3758
LPC(P-18:0)/LPC(O-18:1)_B
LPC P-18:0 or LPC O-18:1
ME583103
-
-
7.54
508.3759
LPE 20:0
LPE 20:0
ME583111
-
-
7.76
510.3551
LPC O-18:0
LPC O-18:0
ME583100
-
-
7.81
510.3911
Cer 18:1;O2/14:0
Cer 18:1;O2/14:0
ME583033
-
-
1.91
510.4879
LPC 18:3
LPC 18:3
ME583095
-
-
7.81
518.3216
LPC 18:2
LPC 18:2
ME583094
-
-
7.8
520.3394
LPC 18:1
LPC 18:1
ME583093
-
-
7.74
522.3551
PC O-18:0 (C16-PAF)
-
ME583153
-
-
7.7
524.3708
LPE 22:6
LPE 22:6
ME583238
-
-
6.24
526.2926
Cer 18:1;O2/16:1
Cer 18:1;O2/16:1
ME583035
-
-
1.89
536.5037
Cer 18:1;O2/16:0
Cer 18:1;O2/16:0
ME583034
-
-
1.89
538.5193
CAR 26:0
CAR 26:0
ME583228
-
-
6.34
540.4985
LPC 20:5
LPC 20:5
ME583232
-
-
7.8
542.3218
LPC 20:4
LPC 20:4
ME583098
-
-
7.73
544.3392
LPC 20:3_a
LPC 20:3
ME583097
-
-
7.56
546.3534
LPC 20:3_b
LPC 20:3
ME583233
-
-
7.776166667
546.3536783
LPC 20:1
LPC 20:1
ME583096
-
-
7.65
550.3867
Cryptoxanthin
Cryptoxanthin
ME583049
-
-
1.68
552.433
Cer 18:1;O2/18:1
Cer 18:1;O2/18:1
ME583037
-
-
1.87
564.5344
Cer 18:1;O2/18:0
Cer 18:1;O2/18:0
ME583036
-
-
1.87
566.5501
LPC 22:6
LPC 22:6
ME583234
-
-
7.69
568.3388
LPC 22:5
LPC 22:5
ME583235
-
-
7.68
570.355
Biliverdin
Biliverdin
ME583003
-
-
2.02
583.2546
Cer 18:1;O2/20:1
Cer 18:1;O2/20:1
ME583039
-
-
1.86
592.566
Cer 18:1;O2/20:0
Cer 18:1;O2/20:0
ME583038
-
-
1.86
594.5816
DG 34:2
DG 34:2
ME583053
-
-
1.62
615.4971
DG 34:1
DG 34:1
ME583052
-
-
1.62
617.5129
Cer 18:1;O2/22:0
Cer 18:1;O2/22:0
ME583040
-
-
1.84
622.6126
DG 36:4
DG 36:4
ME583056
-
-
1.62
634.5397
DG 36:3
DG 36:3
ME583055
-
-
1.62
636.5556
DG 36:2
DG 36:2
ME583054
-
-
1.62
638.5717
Cer 18:1;O2/24:1
Cer 18:1;O2/24:1
ME583042
-
-
1.83
648.6282
Cer 18:1;O2/24:0
Cer 18:1;O2/24:0
ME583041
-
-
1.83
650.6448
DG 38:5
DG 38:5
ME583057
-
-
1.62
660.5559
SM 18:1;O2/14:0
SM 18:1;O2/14:0
ME583178
-
-
7.39
675.5421
PE P-34:2 or PE O-34:3
PE P-34:2 or PE O-34:3
ME583161
-
-
5.52
700.5263
SM 18:1;O2/16:1
SM 18:1;O2/16:1
ME583180
-
-
7.26
701.5579
PE P-34:1 or PE O-34:2
PE P-34:1 or PE O-34:2
ME583160
-
-
5.51
702.5429
SM 18:1;O2/16:0
SM 18:1;O2/16:0
ME583179
-
-
7.25
703.5735
PC 30:0
PC 30:0
ME583239
-
-
6.78
706.5371
PE 34:2
PE 34:2
ME583159
-
-
5.56
716.5214
PC P-32:0 or PC O-32:1
PC P-32:0 or PC O-32:1
ME583155
-
-
6.74
718.5733
PE 34:0
PE 34:0
ME583245
-
-
6.77
720.5529
PC O-32:0
PC O-32:0
ME583154
-
-
6.77
720.5893
PE P-36:4 or PE O-36:5
PE P-36:4 or PE O-36:5
ME583251
-
-
5.45
724.5266
SM 18:1;O2/18:3
SM 18:1;O2/18:3
ME583181
-
-
7.29
725.5557
PE P-36:2 or PE O-36:3
PE P-36:2 or PE O-36:3
ME583162
-
-
5.48
728.5583
SM 18:1;O2/18:1
SM 18:1;O2/18:1
ME583257
-
-
7.21
729.5895
PC 32:2
PC 32:2
ME583240
-
-
6.75
730.5372
SM 18:1;O2/18:0
SM 18:1;O2/18:0
ME583258
-
-
7.2
731.6053
PC 32:0
PC 32:0
ME583149
-
-
6.75
734.569
PE 36:4
PE 36:4
ME583246
-
-
5.49
740.5217
Methylguanidine
Methylguanidine
ME583118
-
-
7.04
74.071331
PC P-34:2 or PC O-34:3
PC P-34:2 or PC O-34:3
ME583158
-
-
6.64
742.5737
PE 36:2
PE 36:2
ME583247
-
-
5.53
744.5531
PC P-34:1 or PC O-34:2
PC P-34:1 or PC O-34:2
ME583157
-
-
6.72
744.5895
PC P-34:0 or PC O-34:1
PC P-34:0 or PC O-34:1
ME583156
-
-
6.72
746.6058
PE P-38:6 or PE O-38:7
PE P-38:6 or PE O-38:7
ME583252
-
-
5.42
748.5258
PE P-38:5 or PE O-38:6
PE P-38:5 or PE O-38:6
ME583253
-
-
5.42
750.5416
PE P-38:4 or PE O-38:5
PE P-38:4 or PE O-38:5
ME583254
-
-
5.42
752.5574
PC 34:4
PC 34:4
ME583241
-
-
6.76
754.5356
PC 34:3
PC 34:3
ME583151
-
-
6.71
756.5521
PC 34:2
PC 34:2
ME583150
-
-
6.47
758.5678
SM 18:1;O2/20:0
SM 18:1;O2/20:0
ME583259
-
-
7.13
759.6359
Glycine
Glycine
ME583069
-
-
7.91
76.0393
Trimethylamine N-oxide
Trimethylamine N-oxide
ME583231
-
-
8.32
76.075737
PE 38:6
PE 38:6
ME583248
-
-
5.48
764.5208
PC P-36:4 or PC O-36:5
PC P-36:4 or PC O-36:5
ME583242
-
-
6.56
766.5729
PE 38:4
PE 38:4
ME583249
-
-
5.46
768.5523
PS P-36:1 or PS O-36:2
PS P-36:1 or PS O-36:2
ME583256
-
-
6.82
774.5629
PE P-40:6 or PE O-40:7
PE P-40:6 or PE O-40:7
ME583255
-
-
5.39
776.5576
PC 36:2
PC 36:2
ME583152
-
-
6.77
786.597778
SM 18:1;O2/22:0
SM 18:1;O2/22:0
ME583260
-
-
7.09
787.6678
PC P-38:6 or PC O-38:7
PC P-38:6 or PC O-38:7
ME583243
-
-
6.53
790.573
PE 40:6
PE 40:6
ME583250
-
-
5.44
792.5526
PC P-38:5 or PC O-38:6
PC P-38:5 or PC O-38:6
ME583244
-
-
6.52
792.5888
Alanine
Alanine
ME582993
-
-
7.81
90.0549
beta-Alanine
beta-Alanine
ME583001
-
-
8.21
90.055016
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
ME583484
-
-
13.78
1019.8966
Piperine
Piperine
ME583387
-
-
3.8
286.1435
sphingosine
Sphingosine
ME583400
-
-
4.39
300.2894
MG 14:0_b
MG 14:0
ME583328
-
-
4.81
325.2346
MG 16:1
MG 16:1
ME583329
-
-
5.1
339.2504
Cholesterol
Cholesterol
ME583282
-
-
7.59
369.3512
MG 18:0
MG 18:0
ME583330
-
-
6.04
381.2971
beta-tocopherol
beta-tocopherol
ME583261
-
-
7.88
416.3643
LPE 16:0
LPE 16:0
ME583322
-
-
5.03
454.2927
LPC 14:0
LPC 14:0
ME583307
-
-
4.5
468.3086
LPE 18:2
LPE 18:2
ME583325
-
-
4.85
478.2929
LPE 18:1
LPE 18:1
ME583324
-
-
5.21
480.3086
LPE 18:0
LPE 18:0
ME583323
-
-
5.62
482.324
LPC 16:1
LPC 16:1
ME583309
-
-
4.65
494.3242
LPC 16:0
LPC 16:0
ME583308
-
-
5.01
496.3397
LPE 20:4
LPE 20:4
ME583326
-
-
4.88
502.2926
LPC 17:0
LPC 17:0
ME583310
-
-
5.3
510.3556
LPC O-18:0
LPC O-18:0
ME583321
-
-
5.99
510.3921
LPC 20:3
LPC 20:3
ME583316
-
-
5.01
518.3216
LPC 18:3
LPC 18:3
ME583314
-
-
4.88
518.3219
LPC 18:2
LPC 18:2
ME583313
-
-
4.84
520.3399
LPC 18:1
LPC 18:1
ME583312
-
-
5.19
522.3556
LPC 18:0
LPC 18:0
ME583311
-
-
5.6
524.3712
LPE 22:6
LPE 22:6
ME583327
-
-
4.85
526.2923
LPC 19:0
LPC 19:0
ME583315
-
-
5.92
538.3868
Cer 18:1;O2/16:0
Cer 18:1;O2/16:0
ME583276
-
-
8.54
538.5191
LPC 20:5
LPC 20:5
ME583318
-
-
4.84
542.3216
LPC 24:0
LPC 24:0
ME583320
-
-
5.19
544.3372
LPC 20:4
LPC 20:4
ME583317
-
-
4.86
544.3398
DG 30:0
DG 30:0
ME583286
-
-
8.91
563.4642
Cer 18:1;O2/18:0
Cer 18:1;O2/18:0
ME583277
-
-
9.03
566.5501
LPC 22:6
LPC 22:6
ME583319
-
-
4.84
568.3399
cholesterol b-glucoside/galactoside
-
ME583283
-
-
6.52
571.3966
DG 32:2
DG 32:2
ME583289
-
-
8.74
587.4637
DG 32:1
DG 32:1
ME583288
-
-
9.04
589.4797
DG 32:0
DG 32:0
ME583287
-
-
9.34
591.4955
Cer 18:1;O2/20:0
Cer 18:1;O2/20:0
ME583278
-
-
9.45
594.5814
DG 34:3
DG 34:3
ME583293
-
-
8.89
613.4796
DG 34:2
DG 34:2
ME583292
-
-
9.19
615.4952
DG 34:1
DG 34:1
ME583291
-
-
9.46
617.5107
DG 34:0
DG 34:0
ME583290
-
-
9.72
619.5266
CE 14:0
CE 14:0
ME583263
-
-
11.59
619.5415
C24:0 PC
PC 24:0
ME583262
-
-
6.72
622.4436
Cer 18:1;O2/22:0
Cer 18:1;O2/22:0
ME583279
-
-
9.85
622.6126
DG 35:2
DG 35:2
ME583295
-
-
9.37
629.5103
DG 35:1
DG 35:1
ME583294
-
-
9.64
631.5267
DG 36:4
DG 36:4
ME583300
-
-
9.02
639.4951
DG 36:3
DG 36:3
ME583299
-
-
9.3
641.5107
DG 36:2
DG 36:2
ME583298
-
-
9.59
643.5264
DG 36:1
DG 36:1
ME583297
-
-
9.86
645.5421
CE 16:1
CE 16:1
ME583265
-
-
11.68
645.5571
DG 36:0
DG 36:0
ME583296
-
-
10.09
647.557
CE 16:0
CE 16:0
ME583264
-
-
11.98
647.5728
Cer 18:1;O2/24:1
Cer 18:1;O2/24:1
ME583281
-
-
9.9
648.6283
Cer 18:1;O2/24:0
Cer 18:1;O2/24:0
ME583280
-
-
10.23
650.6438
DG 38:5
DG 38:5
ME583306
-
-
9.28
665.5105
DG 38:4_b
DG 38:4
ME583305
-
-
9.45
667.5262
DG 38:4_a
DG 38:4
ME583304
-
-
9.59
667.5264
DG 38:3
DG 38:3
ME583303
-
-
9.68
669.5421
CE 18:3
CE 18:3
ME583269
-
-
11.51
669.557
DG 38:2
DG 38:2
ME583302
-
-
9.95
671.5567
CE 18:2
CE 18:2
ME583268
-
-
11.75
671.5726
DG 38:1
DG 38:1
ME583301
-
-
10.23
673.5737
CE 18:1
CE 18:1
ME583267
-
-
12.08
673.5883
SM 18:1;O2/14:0
SM 18:1;O2/14:0
ME583390
-
-
7.9
675.5428
CE 18:0
CE 18:0
ME583266
-
-
12.42
675.6039
PE 32:0
PE 32:0
ME583366
-
-
8.11
692.5218
CE 20:5
CE 20:5
ME583272
-
-
11.38
693.557
CE 20:4
CE 20:4
ME583271
-
-
11.62
695.5725
CE 20:3
CE 20:3
ME583270
-
-
11.87
697.5882
PE P-34:2 or PE O-34:3
PE P-34:2 or PE O-34:3
ME583376
-
-
8.97
700.5271
SM 18:1;O2/16:1
SM 18:1;O2/16:1
ME583392
-
-
8.05
701.5584
SM 18:1;O2/16:0
SM 18:1;O2/16:0
ME583391
-
-
8.41
703.5742
PC 30:1
PC 30:1
ME583332
-
-
8.04
704.5218
PC 30:0
PC 30:0
ME583331
-
-
8.37
706.5371
PE 34:2
PE 34:2
ME583367
-
-
8.68
716.5225
CE 22:6
CE 22:6
ME583275
-
-
11.5
719.5727
PC 31:0
PC 31:0
ME583333
-
-
8.6
720.5528
CE 22:5
CE 22:5
ME583274
-
-
11.7
721.5885
CE 22:4
CE 22:4
ME583273
-
-
12
723.6039
PE P-36:4 or PE O-36:5
PE P-36:4 or PE O-36:5
ME583381
-
-
8.98
724.5267
PE P-36:3 or PE O-36:4
PE P-36:3 or PE O-36:4
ME583380
-
-
9.09
726.541
PE P-36:2 or PE O-36:3
PE P-36:2 or PE O-36:3
ME583379
-
-
9.4
728.558
SM 18:1;O2/18:1
SM 18:1;O2/18:1
ME583394
-
-
8.58
729.5896
PC 32:2
PC 32:2
ME583336
-
-
8.18
730.5372
PE P-36:1 or PE O-36:2
PE P-36:1 or PE O-36:2
ME583377
-
-
9.67
730.5737
SM 18:1;O2/18:0
SM 18:1;O2/18:0
ME583393
-
-
8.89
731.6053
TG 41:0
TG 41:0
ME583401
-
-
10.78
731.6151
PC 32:1
PC 32:1
ME583335
-
-
8.52
732.5528
PE P-36:0 or PE O-36:1
PE P-36:0 or PE O-36:1
ME583378
-
-
9.3
732.5895
PC 32:0
PC 32:0
ME583334
-
-
8.83
734.5686
PC P-34:4 or PC O-34:5
PC P-34:4 or PC O-34:5
ME583358
-
-
9.2
738.5422
PE 36:4
PE 36:4
ME583371
-
-
8.7
740.5234
PC P-34:3 or PC O-34:4
PC P-34:3 or PC O-34:4
ME583357
-
-
8.89
740.5551
PC P-34:2 or PC O-34:3
PC P-34:2 or PC O-34:3
ME583356
-
-
8.97
742.5737
PE 36:2
PE 36:2
ME583370
-
-
9.12
744.5532
PC P-34:1 or PC O-34:2
PC P-34:1 or PC O-34:2
ME583355
-
-
9.26
744.588999999999
TG 42:0
TG 42:0
ME583402
-
-
10.94
745.6308
PE 36:1
PE 36:1
ME583369
-
-
9.4
746.5695
PC P-34:0 or PC O-34:1_a
PC P-34:0 or PC O-34:1
ME583354
-
-
9.26
746.6046
PE P-38:6 or PE O-38:7
PE P-38:6 or PE O-38:7
ME583385
-
-
8.91
748.5264
PE 36:0
PE 36:0
ME583368
-
-
9
748.5844
PE P-38:5 or PE O-38:6
PE P-38:5 or PE O-38:6
ME583384
-
-
9.09
750.5417
PE P-38:4 or PE O-38:5
PE P-38:4 or PE O-38:5
ME583383
-
-
9.41
752.558
PC 34:4
PC 34:4
ME583341
-
-
8.21
754.5368
TG 43:2
TG 43:2
ME583405
-
-
10.66
755.615
PC 34:3
PC 34:3
ME583340
-
-
8.38
756.5526
PE P-38:2 or PE O-38:3
PE P-38:2 or PE O-38:3
ME583382
-
-
9.15
756.5883
TG 43:1
TG 43:1
ME583404
-
-
10.88
757.6307
PC 34:2
PC 34:2
ME583339
-
-
8.67
758.5688
SM 18:1;O2/20:0
SM 18:1;O2/20:0
ME583395
-
-
9.4
759.6366
TG 43:0
TG 43:0
ME583403
-
-
11.08
759.6466
PC 34:1
PC 34:1
ME583338
-
-
8.98
760.5845
PC 34:0
PC 34:0
ME583337
-
-
9.27
762.5995
PE 38:6
PE 38:6
ME583374
-
-
8.63
764.5216
PS 34:0
PS 34:0
ME583388
-
-
8.42
764.5468
PE 38:5
PE 38:5
ME583373
-
-
8.84
766.5388
PC P-36:4 or PC O-36:5
PC P-36:4 or PC O-36:5
ME583363
-
-
8.97
766.5725
PE 38:4
PE 38:4
ME583372
-
-
9.14
768.5533
PC P-36:3 or PC O-36:4_a
PC P-36:3 or PC O-36:4
ME583362
-
-
9
768.5879
TG 44:2
TG 44:2
ME583408
-
-
10.81
769.6307
PC P-36:2 or PC O-36:3
PC P-36:2 or PC O-36:3
ME583361
-
-
9.4
770.6047
TG 44:1
TG 44:1
ME583407
-
-
11.03
771.6463
PC 35:2
PC 35:2
ME583342
-
-
8.9
772.5838
PC P-36:1 or PC O-36:2
PC P-36:1 or PC O-36:2
ME583360
-
-
9.41
772.6202
TG 44:0
TG 44:0
ME583406
-
-
11.25
773.6619
PC P-36:0 or PC O-36:1
PC P-36:0 or PC O-36:1
ME583359
-
-
9.68
774.6341
PE P-40:8 or PE O-40:7
-
ME583386
-
-
9.33
776.5573
PC 36:4_b
PC 36:4
ME583346
-
-
8.69
782.5675
PC 36:4_a
PC 36:4
ME583345
-
-
8.49
782.5679
TG 45:2
TG 45:2
ME583411
-
-
10.95
783.6463
SM 18:1;O2/22:1
SM 18:1;O2/22:1
ME583397
-
-
9.49
785.6523
TG 45:1
TG 45:1
ME583410
-
-
11.17
785.661999999999
PC 36:2
PC 36:2
ME583344
-
-
9.12
786.6002
SM 18:1;O2/22:0
SM 18:1;O2/22:0
ME583396
-
-
9.75
787.6681
TG 45:0
TG 45:0
ME583409
-
-
11.38
787.6772
PC 36:1
PC 36:1
ME583343
-
-
9.4
788.6154
PC P-38:6 or PC O-38:7
PC P-38:6 or PC O-38:7
ME583365
-
-
8.9
790.5732
PE 40:6
PE 40:6
ME583375
-
-
9.07
792.5529
TG 46:4
TG 46:4
ME583416
-
-
10.68
793.6308
TG 46:3
TG 46:3
ME583415
-
-
10.89
795.646
PC P-38:3 or PC O-38:4_a
PC P-38:3 or PC O-38:4
ME583364
-
-
9.43
796.6201
TG 46:2
TG 46:2
ME583414
-
-
11.1
797.6614
TG 46:1
TG 46:1
ME583413
-
-
11.32
799.6776
TG 46:0
TG 46:0
ME583412
-
-
11.54
801.6926
PC 38:6
PC 38:6
ME583350
-
-
8.63
806.5678
PC 38:4
PC 38:4
ME583349
-
-
9.14
810.5986
TG 47:2
TG 47:2
ME583419
-
-
11.25
811.6775
PC 38:3
PC 38:3
ME583348
-
-
9.27
812.6148
SM 18:1;O2/24:1
SM 18:1;O2/24:1
ME583399
-
-
9.79
813.6835
TG 47:1
TG 47:1
ME583418
-
-
11.47
813.6935
PC 38:2
PC 38:2
ME583347
-
-
9.48
814.6306
SM 18:1;O2/24:0
SM 18:1;O2/24:0
ME583398
-
-
10.13
815.6993
TG 47:0
TG 47:0
ME583417
-
-
11.69
815.7088
Coenzyme Q9
Coenzyme Q9
ME583285
-
-
11.01
817.6098
TG 48:5
TG 48:5
ME583425
-
-
10.76
819.6461
TG 48:4
TG 48:4
ME583424
-
-
10.97
821.6616
TG 48:3
TG 48:3
ME583423
-
-
11.18
823.677
TG 48:2
TG 48:2
ME583422
-
-
11.4
825.6923
PC 40:10
PC 40:10
ME583351
-
-
8.33
826.5349
TG 48:1
TG 48:1
ME583421
-
-
11.63
827.7086
PC 40:9
PC 40:9
ME583353
-
-
8.63
828.5499
TG 48:0
TG 48:0
ME583420
-
-
11.87
829.7249
PC 40:6
PC 40:6
ME583352
-
-
9.08
834.5989
PS 40:6
PS 40:6
ME583389
-
-
8.76
836.5372
TG 49:3
TG 49:3
ME583429
-
-
11.33
837.6933
TG 49:2
TG 49:2
ME583428
-
-
11.55
839.7094
TG 49:1
TG 49:1
ME583427
-
-
11.79
841.7245
TG 49:0
TG 49:0
ME583426
-
-
12.01
843.74
TG 50:6
TG 50:6
ME583435
-
-
10.93
845.6618
TG 50:5
TG 50:5
ME583434
-
-
11.05
847.6772
TG 50:3
TG 50:3
ME583433
-
-
11.49
851.7078
TG 50:2
TG 50:2
ME583432
-
-
11.71
853.7242
TG 50:1
TG 50:1
ME583431
-
-
11.96
855.74
TG 50:0
TG 50:0
ME583430
-
-
12.22
857.7557
TG 51:4
TG 51:4
ME583440
-
-
11.41
863.7087
TG 51:3
TG 51:3
ME583439
-
-
11.64
865.7245
TG 51:2
TG 51:2
ME583438
-
-
11.88
867.7402
TG 51:1
TG 51:1
ME583437
-
-
12.12
869.7562
TG 52:7
TG 52:7
ME583447
-
-
11.02
871.6777
TG 51:0
TG 51:0
ME583436
-
-
12.37
871.7714
TG 52:6
TG 52:6
ME583446
-
-
11.14
873.693
TG 52:4
TG 52:4
ME583445
-
-
11.57
877.7235
TG 52:3
TG 52:3
ME583444
-
-
11.81
879.7398
TG 52:2
TG 52:2
ME583443
-
-
12.05
881.7554
TG 52:1
TG 52:1
ME583442
-
-
12.3
883.7711
coenzyme Q10
Coenzyme Q10
ME583284
-
-
11.58
885.6728
TG 52:0
TG 52:0
ME583441
-
-
12.58
885.7868
TG 53:3
TG 53:3
ME583449
-
-
11.97
893.7559
TG 54:9
TG 54:9
ME583457
-
-
10.81
895.6782
TG 53:2
TG 53:2
ME583448
-
-
12.22
895.7715
TG 54:8
TG 54:8
ME583456
-
-
11.01
897.6934
TG 54:6
TG 54:6
ME583455
-
-
11.43
901.7234
TG 54:5
TG 54:5
ME583454
-
-
11.66
903.7398
TG 54:4
TG 54:4
ME583453
-
-
11.9
905.7555
TG 54:3
TG 54:3
ME583452
-
-
12.14
907.7711
TG 54:2
TG 54:2
ME583451
-
-
12.4
909.7868
TG 54:1
TG 54:1
ME583450
-
-
12.67
911.8027
TG 56:10
TG 56:10
ME583460
-
-
11.04
921.6944
TG 55:3
TG 55:3
ME583458
-
-
12.32
921.7875
TG 56:9
TG 56:9
ME583469
-
-
11.19
923.7091
TG 56:8
TG 56:8
ME583468
-
-
11.45
925.7239
TG 56:7
TG 56:7
ME583467
-
-
11.63
927.7388
TG 56:6
TG 56:6
ME583466
-
-
11.86
929.7544
TG 56:5_a
TG 56:5
ME583464
-
-
12.01
931.7708
TG 56:5_b
TG 56:5
ME583465
-
-
12.1
931.7714
TG 56:4
TG 56:4
ME583463
-
-
12.23
933.7869
TG 56:3
TG 56:3
ME583462
-
-
12.49
935.8036
TG 56:2
TG 56:2
ME583461
-
-
12.78
937.8183
TG 56:1
TG 56:1
ME583459
-
-
13.08
939.8347
TG 58:11
TG 58:11
ME583473
-
-
11.16
947.7089
TG 58:10
TG 58:10
ME583472
-
-
11.31
949.7239
TG 58:9
TG 58:9
ME583480
-
-
11.53
951.7383
TG 57:2
TG 57:2
ME583470
-
-
12.98
951.8345
TG 58:8
TG 58:8
ME583479
-
-
11.76
953.7555
TG 58:7_a
TG 58:7
ME583477
-
-
11.87
955.7703
TG 58:7_b
TG 58:7
ME583478
-
-
12
955.7715
TG 58:6
TG 58:6
ME583476
-
-
12.12
957.786999999999
TG 58:3
TG 58:3
ME583475
-
-
12.89
963.8346
TG 58:2
TG 58:2
ME583474
-
-
13.19
965.85
TG 58:1
TG 58:1
ME583471
-
-
13.51
967.8656
TG 60:12
TG 60:12
ME583481
-
-
11.29
973.725
TG 60:3
TG 60:3
ME583483
-
-
13.31
991.8653
TG 60:2
TG 60:2
ME583482
-
-
13.64
993.8813
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
-
ME583549
-
-
3.436060606
101.0608
valerate/isovalerate
-
ME583595
-
-
3.44
101.0608
2-aminobutyrate
2-Aminobutyric acid
ME583492
-
-
2.85
102.0561
malonate
Malonic acid
ME583553
-
-
6.845820896
103.00368
alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxy...
-
ME583513
-
-
3.503283582
103.04007
glycerate
Glyceric acid
ME583534
-
-
4.02
105.0194
uracil
Uracil
ME583581
-
-
1.544328358
111.02
fumarate/maleate
Fumaric acid
ME583527
-
-
6.6083
115.0037836
alpha-ketoisovalerate
Ketoisovaleric acid
ME583516
-
-
3.159666667
115.04007
succinate
Succinic acid
ME583572
-
-
6.602985075
117.01933
2-hydroxy-3-methylbutyrate/hydroxyisovalerate
-
ME583494
-
-
3.3
117.0558
4-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME583501
-
-
2.385820896
121.0295
threitol
Threitol
ME583577
-
-
1.435454545
121.05063
nicotinate
Nicotinic acid
ME583557
-
-
3.817368421
122.02475
thymine
Thymine
ME583578
-
-
1.24
125.0358
mesaconate
Mesaconic acid
ME583554
-
-
6.539402985
129.01933
alpha-keto-beta-methylvalerate/alpha-ketoisocaproa...
-
ME583514
-
-
3.125074627
129.05572
thymine-d4
Thymine
ME583485
-
-
1.3
129.0609
2-hydroxy-3-methylpentanoate/hydroxyisocaproate
-
ME583495
-
-
3.25
131.0715
aspartate
Aspartic acid
ME583519
-
-
4.89
132.0304
4-hydroxybenzeneacetonitrile
4-Hydroxybenzeneacetonitrile
ME583502
-
-
1.156086957
132.04549
malate
Malic acid
ME583552
-
-
6.61
133.0144
adenine
Adenine
ME583508
-
-
2.147368421
134.04722
erythronate/threonate
-
ME583525
-
-
4.018208955
135.0299
hypoxanthine
Hypoxanthine
ME583542
-
-
3.05
135.0314
2-aminoheptanoate
2-Aminoheptanoic acid
ME583493
-
-
2.363035714
144.103
alpha-ketoglutarate
2-Oxoglutaric acid
ME583515
-
-
7.129076923
145.01425
adipate/methylglutarate
-
ME583509
-
-
6.423
145.0507971
glutamate
Glutamic acid
ME583531
-
-
4.874029851
146.04588
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME583496
-
-
6.579850746
147.0299
tartarate
Tartaric acid
ME583574
-
-
6.764285714
149.00916
hydrocinnamate
Hydrocinnamic acid
ME583592
-
-
3.55
149.0609
xanthine
Xanthine
ME583584
-
-
4.639402985
151.02615
2-(3-hydroxyphenyl)acetic acid (mHPAA)
-
ME583586
-
-
4.36
151.0402
adonitol/arabitol
-
ME583510
-
-
1.67
151.0613
gentisate
Gentisic acid
ME583529
-
-
3.4009375
153.01933
3-methyladipate/pimelate
-
ME583499
-
-
6.492686567
159.06628
2-aminoadipate
alpha-Aminoadipic acid
ME583491
-
-
4.998153846
160.06153
anhydroDglucose
-
ME583518
-
-
6.454328358
161.04555
3-hydroxymethylglutarate
3-Hydroxymethylglutaric acid
ME583587
-
-
6.41
161.0457
acesulfame
Acesulfame
ME583589
-
-
3.1
161.9868
fucose
Fucose
ME583591
-
-
1.52
163.0614
1-methylxanthine
1-Methylxanthine
ME583490
-
-
3.74575
165.0418
7-methylxanthine
7-Methylxanthine
ME583505
-
-
2.437857143
165.0418
3-3-hydroxyphenylpropionate
3-(3-Hydroxyphenyl)propanoic acid
ME583498
-
-
4.144042553
165.05572
phenyllactate
Phenyllactic acid
ME583562
-
-
3.474920635
165.05572
quinolinate
Quinolinic acid
ME583567
-
-
7.153538462
166.01458
PEP
Phosphoenolpyruvic acid
ME583561
-
-
9.281666667
166.9751
urate
Uric acid
ME583582
-
-
4.88
167.0212
1-methylhistidine
1-Methylhistidine
ME583488
-
-
3.175744681
168.07785
alpha-glycerophosphate
sn-Glycero-3-phosphate
ME583512
-
-
6.980666667
171.0064
aconitate
trans-Aconitic acid
ME583507
-
-
8.7292
173.00916
suberate
Suberic acid
ME583571
-
-
6.447014925
173.08193
Ne-Ne dimethyllysine
-
ME583556
-
-
5.55
173.12955
2-isopropylmalate
2-Isopropylmalic acid
ME583497
-
-
6.770384615
175.0612
hippurate
Hippuric acid
ME583540
-
-
3.631076923
178.05097
fructose/glucose/galactose
Hexose
ME583526
-
-
1.973731343
179.05611
inositol
Inositol
ME583548
-
-
2.4675
179.05611
1-methylurate
1-Methyluric acid
ME583489
-
-
4.448059701
181.03671
homovanillate
Homovanillic acid
ME583541
-
-
4.19
181.0509
sorbitol
Sorbitol
ME583570
-
-
1.87
181.072
saccharin
Saccharin
ME583594
-
-
3.36
181.992
4-pyridoxate
4-Pyridoxic acid
ME583503
-
-
3.39
182.0461
3-phosphoglycerate
3-Phosphoglyceric acid
ME583500
-
-
8.819714286
184.98566
N-acetylglutamate
N-Acetylglutamic acid
ME583555
-
-
6.352537313
188.05645
indole-3-propionate
3-Indolepropionic acid
ME583544
-
-
4.24
188.0719
citrate/isocitrate
Citric acid/Isocitric acid
ME583522
-
-
8.683134328
191.01973
quinate
Quinic acid
ME583566
-
-
4.018536585
191.05611
glucuronate
Glucuronic acid
ME583530
-
-
4.626825397
193.03538
salicylurate
Salicyluric acid
ME583568
-
-
5.706896552
194.04588
5-dodecenoate
5-Dodecenoic acid
ME583588
-
-
3.1
197.1549
sebacate
Sebacic acid
ME583569
-
-
6.418656716
201.11323
xanthurenate
Xanthurenic acid
ME583585
-
-
7.912826087
204.03023
indolelactate
Indolelactic acid
ME583545
-
-
4.174745763
204.06662
kynurenine
Kynurenine
ME583550
-
-
3.009166667
207.07752
indoxylsulfate
Indoxyl sulfate
ME583546
-
-
3.648333333
212.0023
pantothenate
Pantothenic acid
ME583559
-
-
3.68
218.1035
pentose monophosphate
Ribose 5-phosphate
ME583560
-
-
7.041515152
229.01188
CMPF
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME583524
-
-
6.573220339
239.0925
pseudouridine
Pseudouridine
ME583564
-
-
2.17
243.0623
uridine
Uridine
ME583583
-
-
1.68
243.0623
hexose monophosphate
Fructose 6-phosphate
ME583539
-
-
7.065818182
259.02244
inosine
Inosine
ME583547
-
-
3.160357143
267.07349
inosine-15N4
Inosine
ME583486
-
-
3.148955224
271.06163
6-phosphogluconate
6-Phosphogluconic acid
ME583504
-
-
8.454117647
275.01736
glutathione reduced
Glutathione
ME583533
-
-
5.666
306.07653
CMP
CMP
ME583523
-
-
7.215217391
322.04457
UMP
UMP
ME583580
-
-
7.311875
323.02859
acetaminophen glucuronide
p-Acetamidophenylglucuronide
ME583506
-
-
4.290909091
326.08814
hexose diphosphate
-
ME583538
-
-
9.705625
338.98877
sucrose/lactose/trehalose
-
ME583573
-
-
2.295522388
341.10893
lactose
Lactose
ME583593
-
-
2.24
341.1095
AMP
AMP
ME583517
-
-
7.32
346.0563
IMP
IMP
ME583543
-
-
8.371818182
347.03982
GMP
GMP
ME583537
-
-
8.135
362.05072
chenodeoxycholate/deoxycholate
Deoxycholic acid
ME583521
-
-
3.782
391.28538
UDP
UDP
ME583579
-
-
9.366666667
402.99492
ADP
ADP
ME583511
-
-
9.406433333
426.0227521
GDP
GDP
ME583528
-
-
10.26285714
442.01705
glycodeoxycholate/glycochenodeoxycholate
Glycodeoxycholic acid
ME583536
-
-
3.620566038
448.30685
glycocholate
Glycocholic acid
ME583535
-
-
3.697258065
464.30176
glycocholate-d4
Glycocholic acid
ME583487
-
-
3.68
468.3274
taurodeoxycholate/taurochenodeoxycholate
-
ME583576
-
-
3.21375
498.28948
ATP
ATP
ME583520
-
-
11.36178571
505.98847
taurocholate
Taurocholic acid
ME583575
-
-
3.38125
514.2844
glutathione oxidized
Glutathione
ME583532
-
-
7.499285714
611.14468
propionate
Propionic acid
ME583563
-
-
3.726307692
73.0295
pyruvate
Pyruvic acid
ME583565
-
-
5.193333333
87.00877
butyrate
Butyric acid
ME583590
-
-
3.54
87.0452
oxalate
Oxalic acid
ME583558
-
-
7.144029851
88.98803
lactate
Lactic acid
ME583551
-
-
3.68
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
ME583650
-
-
0.99
115.0388
N-Acetylalanine
N-Acetylalanine
ME583656
-
-
0.98
130.0497
3S-Hydroxyhexanoic acid
3S-Hydroxyhexanoic acid
ME583613
-
-
1.55
131.0701
Salicylic acid
Salicylic acid
ME583671
-
-
2.85
137.0232
Caprylic acid
Caprylic acid
ME583627
-
-
8.68
143.1065
Hydrocinnamic acid
Hydrocinnamic acid
ME583693
-
-
5.85
149.0604
Oxypurinol
Oxypurinol
ME583661
-
-
0.81
151.0249
Mandelic acid
Mandelic acid
ME583694
-
-
1.82
151.0388
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME583667
-
-
1.38
151.0388
2-Aminooctanoic acid
2-Aminocaprylic acid
ME583689
-
-
1.39
158.1175
3-Methyladipic acid
3-Methyladipic acid
ME583612
-
-
1.32
159.0655
2-Hydroxyoctanoic acid
2-Hydroxyoctanoic acid
ME583684
-
-
6.39
159.1015
3-Hydroxyoctanoic acid
3-Hydroxyoctanoic acid
ME583691
-
-
5.5
159.1015
Acesulfame
Acesulfame
ME583619
-
-
1.01
161.9856
Phenyllactic acid
Phenyllactic acid
ME583666
-
-
2.21
165.0547
Capric acid
Capric acid
ME583626
-
-
10.6
171.1382
Indoleacetic acid
Indoleacetic acid
ME583647
-
-
3.76
174.0551
N-Formylmethionine
N-Formylmethionine
ME583692
-
-
1.11
176.0378
Hexose
Hexose
ME583645
-
-
0.77
179.0552
Theophylline
Theophylline
ME583688
-
-
1.01
179.0564
Saccharin
Saccharin
ME583670
-
-
1.06
181.9908
Azelaic acid
Azelaic acid
ME583625
-
-
3.54
187.0967
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME583690
-
-
8.14
187.1331
Salicyluric acid
Salicyluric acid
ME583696
-
-
1.98
194.0463
5-Dodecenoic acid
5-Dodecenoic acid
ME583615
-
-
11.33
197.1538
Lauric acid
Lauric acid
ME583649
-
-
12.26
199.1695
Sebacic acid
Sebacic acid
ME583672
-
-
5.72
201.1126
Cinnamoylglycine
Cinnamoylglycine
ME583685
-
-
3.08
204.0671
Ibuprofen
Ibuprofen
ME583687
-
-
9.99
205.1228
Methyl dodecanoate
Methyl dodecanoate
ME583653
-
-
12.76
213.1855
Tridecylic acid
Tridecylic acid
ME583679
-
-
13.01
213.1855
undecanedionate
Undecanedioic acid
ME583680
-
-
6.79
215.1283
2-Hydroxyibuprofen
2-Hydroxyibuprofen
ME583683
-
-
5.82
221.1178
Myristoleic acid
Myristoleic acid
ME583655
-
-
12.63
225.1855
Myristic acid
Myristic acid
ME583654
-
-
13.71
227.201
Dodecanedioic acid
Dodecanedioic acid
ME583633
-
-
7.62
229.1441
Pentadecylic acid
Pentadecylic acid
ME583665
-
-
14.34
241.2169
2-Hydroxymyristic acid
2-Hydroxymyristic acid
ME583611
-
-
12.16
243.1962
Palmitoleic acid
Palmitoleic acid
ME583663
-
-
13.93
253.217
Palmitic acid
Palmitic acid
ME583662
-
-
14.91
255.2326
Ribothymidine
Ribothymidine
ME583669
-
-
0.97
257.0779
Tetradecanedioic acid
Tetradecanedioic acid
ME583678
-
-
9.05
257.1758
alpha-N-Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME583622
-
-
1.36
263.1038
10Z-Heptadecenoic acid
10Z-Heptadecenoic acid
ME583597
-
-
14.51
267.233
Margaric acid
Margaric acid
ME583652
-
-
15.42
269.2486
2-Hydroxy palmitic acid
2-Hydroxypalmitic acid
ME583610
-
-
13.64
271.228
Juniperic acid
Juniperic acid
ME583648
-
-
10.83
271.228
alpha-Linolenic acid
alpha-Linolenic acid
ME583621
-
-
13.46
277.2172
Linoleic acid
Linoleic acid
ME583651
-
-
14.22
279.2327
Oleic acid
Oleic acid
ME583660
-
-
15.04
281.2484
Stearic acid
Stearic acid
ME583673
-
-
15.9
283.2643
Hexadecanedioic acid
Hexadecanedioic acid
ME583644
-
-
10.39
285.2072
13-HODE
13-HODE
ME583602
-
-
11.25
295.2276
Nonadeca-10Z-enoic acid
Nonadeca-10Z-enoic acid
ME583658
-
-
15.52
295.2641
17-Methylstearate
Xi-17-Methyloctadecanoic acid
ME583609
-
-
16.2
297.2797
Nonadecylic acid
Nonadecylic acid
ME583659
-
-
16.34
297.2798
9-cis-Retinoic acid
9-cis-Retinoic acid
ME583618
-
-
12.55
299.2016
10-Hydroxystearic Acid
-
ME583596
-
-
12.57
299.2591
Eicosapentaenoic acid
Eicosapentaenoic acid
ME583636
-
-
13.33
301.2173
Arachidonic acid
Arachidonic acid
ME583624
-
-
14.04
303.2328
Eicosatrienoic acid
Eicosatrienoic acid
ME583637
-
-
14.53
305.2485
Eicosadienoic acid
Eicosadienoic acid
ME583634
-
-
15.19
307.2642
Eicosenoic acid
Eicosenoic acid
ME583638
-
-
15.93
309.2798
Phytanic acid
Phytanic acid
ME583668
-
-
16.15
311.2955
Arachidic acid
Arachidic acid
ME583623
-
-
16.79
311.2956
12,13-diHOME
12,13-DiHOME
ME583600
-
-
9.79
313.2386
9,10-DiHOME
9,10-DiHOME
ME583617
-
-
9.99
313.2386
12-HEPE
12-HEPE
ME583682
-
-
11.04
317.212
12-HETE
12-HETE
ME583601
-
-
11.74
319.2277
15-HETE
15-HETE
ME583603
-
-
11.44
319.2278
11-HETE
11-HETE
ME583599
-
-
11.62
319.2279
Docosahexaenoic acid
Docosahexaenoic acid
ME583632
-
-
13.82
327.2329
4,7,10,13,16-Docosapentaenoic acid
4,7,10,13,16-Docosapentaenoic acid
ME583614
-
-
14.18
329.2485
Adrenic acid
Adrenic acid
ME583620
-
-
14.83
331.2642
cis-Erucic acid
cis-Erucic acid
ME583630
-
-
16.78
337.3113
Eicosanedioic acid
Eicosanedioic acid
ME583635
-
-
12.92
341.2697
11-HDoHE
11-HDoHE
ME583598
-
-
11.74
343.2276
10-HDoHE
10-HDoHE
ME583681
-
-
11.61
343.2277
Palmitoyl-EA
Palmitoyl-EA
ME583664
-
-
13.42
344.2806
15R-15-methyl PGA2 [iSTD]
-
ME583604
-
-
9.35
347.2228
15S-15-methyl PGE2 [iSTD]
-
ME583608
-
-
8.04
365.2332
15S-15-methyl PGD2 [iSTD]
-
ME583606
-
-
8.3
365.2333
Nervonic acid
Nervonic acid
ME583657
-
-
17.74
365.3423
Dehydroepiandrosterone sulfate
Dehydroepiandrosterone sulfate
ME583686
-
-
8.05
367.1585
15R-15-methyl PGF2a [iSTD]
-
ME583605
-
-
7.85
367.2489
15S-15-methyl PGE1 [iSTD]
-
ME583607
-
-
8.16
367.249
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME583697
-
-
10.31
378.2415
Pantoprazole
Pantoprazole
ME583695
-
-
6.07
382.0679
Chenodeoxycholic acid
Chenodeoxycholic acid
ME583628
-
-
10.17
391.2854
Deoxycholic acid
Deoxycholic acid
ME583631
-
-
10.38
391.2857
Hyodeoxycholic acid
Hyodeoxycholic acid
ME583646
-
-
8.87
391.2859
7-Ketodeoxycholic acid
7-Ketodeoxycholic acid
ME583616
-
-
7.97
405.2651
Cholic acid
Cholic acid
ME583629
-
-
8.75
407.2803
Glycolithocholic acid
Glycolithocholic acid
ME583642
-
-
10.5
432.3118
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME583639
-
-
8.85
448.3069
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME583643
-
-
7.69
448.3069
Glycodeoxycholic acid
Glycodeoxycholic acid
ME583641
-
-
9.09
448.307
Glycocholic acid
Glycocholic acid
ME583640
-
-
7.72
464.3016
Taurolithocholic acid
Taurolithocholic acid
ME583677
-
-
9.5
482.2935
Taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME583698
-
-
6.96
498.2897
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME583674
-
-
8.02
498.2898
Taurodeoxycholic acid
Taurodeoxycholic acid
ME583676
-
-
8.28
498.2898
Taurocholic acid
Taurocholic acid
ME583675
-
-
7.08
514.2844
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