Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
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
N(6),N(6)-Dimethyl-lysine
N(6),N(6)-Dimethyl-lysine
ME583122
-
-
10.25
175.1439
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME583124
-
-
10.4
287.2436
sn-Glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME583183
-
-
10.45
258.1097
Anserine
Anserine
ME582997
-
-
10.52
241.1292
Choline phosphate
Choline phosphate
ME583045
-
-
11.15
184.073456
N-6-Trimethyllysine
N-6-Trimethyllysine
ME583129
-
-
11.21
189.1596
Retinol
Retinol
ME583174
-
-
1.58
269.2259
DG 34:1
DG 34:1
ME583052
-
-
1.62
617.5129
DG 34:2
DG 34:2
ME583053
-
-
1.62
615.4971
DG 36:2
DG 36:2
ME583054
-
-
1.62
638.5717
DG 36:3
DG 36:3
ME583055
-
-
1.62
636.5556
DG 36:4
DG 36:4
ME583056
-
-
1.62
634.5397
DG 38:5
DG 38:5
ME583057
-
-
1.62
660.5559
glycidyl linoleate
Glycidyl linoleate
ME583068
-
-
1.62
337.273
Cryptoxanthin
Cryptoxanthin
ME583049
-
-
1.68
552.433
alpha-Tocopherol
alpha-Tocopherol
ME582995
-
-
1.69
431.3513
D-alpha-tocopherylquinone
alpha-Tocoquinone
ME583051
-
-
1.69
447.3824
myristoleate
Myristoleic acid
ME583121
-
-
1.69
227.2004
13-cis-Retinoic acid
13-cis-Retinoic acid
ME582973
-
-
1.74
301.2157
Cholestenone
Cholestenone
ME583043
-
-
1.76
385.3458
Cer 18:1;O2/24:0
Cer 18:1;O2/24:0
ME583041
-
-
1.83
650.6448
Cer 18:1;O2/24:1
Cer 18:1;O2/24:1
ME583042
-
-
1.83
648.6282
Cer 18:1;O2/22:0
Cer 18:1;O2/22:0
ME583040
-
-
1.84
622.6126
Cer 18:1;O2/20:0
Cer 18:1;O2/20:0
ME583038
-
-
1.86
594.5816
Cer 18:1;O2/20:1
Cer 18:1;O2/20:1
ME583039
-
-
1.86
592.566
Cer 18:1;O2/18:0
Cer 18:1;O2/18:0
ME583036
-
-
1.87
566.5501
Cer 18:1;O2/18:1
Cer 18:1;O2/18:1
ME583037
-
-
1.87
564.5344
Cer 18:1;O2/16:0
Cer 18:1;O2/16:0
ME583034
-
-
1.89
538.5193
Cer 18:1;O2/16:1
Cer 18:1;O2/16:1
ME583035
-
-
1.89
536.5037
Cer 18:1;O2/14:0
Cer 18:1;O2/14:0
ME583033
-
-
1.91
510.4879
Stearamide
Stearamide
ME583186
-
-
1.97
284.2943
2-Aminobenzoic acid
2-Aminobenzoic acid
ME582978
-
-
2
138.0547
Piperine
Piperine
ME583169
-
-
2
286.1432
Oleoyl-EA
Oleoyl-EA
ME583145
-
-
2.01
326.3047
Biliverdin
Biliverdin
ME583003
-
-
2.02
583.2546
Linoleoyl-EA
Linoleoyl-EA
ME583088
-
-
2.02
324.2891
Acetaminophen
Acetaminophen
ME582988
-
-
2.03
152.0704
Cortisol
Cortisol
ME583212
-
-
2.03
363.2158
Cortisone
Cortisone
ME583213
-
-
2.03
361.2003
(E,E)-Trichostachine_a
(E,E)-Trichostachine
ME582971
-
-
2.03
272.1276
Palmitoyl-EA
Palmitoyl-EA
ME583147
-
-
2.03
300.2891
4-Aminohippuric acid
4-Aminohippuric acid
ME583208
-
-
2.38
195.0764
N-Lauroylglycine
N-Lauroylglycine
ME583141
-
-
2.41
258.205999999999
(E,E)-Trichostachine_b
(E,E)-Trichostachine
ME582972
-
-
2.45
272.1276
Hippuric acid
Hippuric acid
ME583229
-
-
2.6
180.0653
N-Acetylleucine
N-Acetylleucine
ME583137
-
-
2.68
174.1123
Metronidazole
Metronidazole
ME583219
-
-
2.76
172.0714
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME583230
-
-
2.91
247.1076125
Caffeine
Caffeine
ME583009
-
-
2.93
195.0876
Ribothymidine
Ribothymidine
ME583175
-
-
2.99
259.092377
Pantothenic acid
Pantothenic acid
ME583148
-
-
3.02
220.1177
N-acetyl-5-Aminosalicylic acid
-
ME583130
-
-
3.18
196.0604
Theobromine
Theobromine
ME583191
-
-
3.28
181.0718
3-Methylxanthine
3-Methylxanthine
ME582982
-
-
3.36
167.0562
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME582983
-
-
3.59755
146.0812597
7-Methylxanthine
7-Methylxanthine
ME583210
-
-
3.68
167.0562
Allantoin
Allantoin
ME583211
-
-
3.6956
159.051385
Nicotinic acid
Nicotinic acid
ME583140
-
-
3.71
124.0395
Xanthine
Xanthine
ME583206
-
-
3.81
153.0405
Niacinamide
Niacinamide
ME583221
-
-
3.84
123.0556
Mesalamine
Mesalazine
ME583115
-
-
3.98
154.0496
Pseudouridine
Pseudouridine
ME583222
-
-
4.2
245.0765
4-Pyridoxic acid
4-Pyridoxic acid
ME582984
-
-
4.22
184.0603
Glycodeoxycholic acid
Glycodeoxycholic acid
ME583071
-
-
4.22
450.3208
N4-Acetylcytidine
N4-Acetylcytidine
ME583220
-
-
4.29
286.1028
Uric acid
Uric acid
ME583201
-
-
4.29
169.0353
Ureidopropionic acid
Ureidopropionic acid
ME583200
-
-
4.32
133.060837
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME583126
-
-
4.37
153.0656
N-Acetylaspartic acid
N-Acetylaspartic acid
ME583132
-
-
4.37
176.0552
N-Acetylglutamic acid
N-Acetylglutamic acid
ME583134
-
-
4.4
190.0709
Urocanic acid
Urocanic acid
ME583202
-
-
4.51
139.0499
alpha-N-Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME582994
-
-
4.61
265.1178
Hypoxanthine
Hypoxanthine
ME583077
-
-
4.87
137.0454
Inosine
Inosine
ME583081
-
-
4.9
269.0876
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME582979
-
-
5.03
313.0847
Adenosine
Adenosine
ME582990
-
-
5.06
268.1036
1-Methylguanosine
1-Methylguanosine
ME582976
-
-
5.12
298.114
Kynurenic acid
Kynurenic acid
ME583083
-
-
5.28
190.0497
Glycocholic acid
Glycocholic acid
ME583070
-
-
5.3
466.3158
5-Acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME582985
-
-
5.34
199.0824
p-Acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME583224
-
-
5.36
328.102
1-Methylguanine
1-Methylguanine
ME582975
-
-
5.37
166.0724565
D-N-Acetylgalactosamine
-
ME583061
-
-
5.39
204.0866
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME583127
-
-
5.39
312.1296
N-Acetyl-D-galactosamine
N-Acetylgalactosamine
ME583133
-
-
5.39
222.0969
PE P-40:6 or PE O-40:7
PE P-40:6 or PE O-40:7
ME583255
-
-
5.39
776.5576
PE P-38:4 or PE O-38:5
PE P-38:4 or PE O-38:5
ME583254
-
-
5.42
752.5574
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-38:6 or PE O-38:7
PE P-38:6 or PE O-38:7
ME583252
-
-
5.42
748.5258
PE 40:6
PE 40:6
ME583250
-
-
5.44
792.5526
PE P-36:4 or PE O-36:5
PE P-36:4 or PE O-36:5
ME583251
-
-
5.45
724.5266
PE 38:4
PE 38:4
ME583249
-
-
5.46
768.5523
PE 38:6
PE 38:6
ME583248
-
-
5.48
764.5208
PE P-36:2 or PE O-36:3
PE P-36:2 or PE O-36:3
ME583162
-
-
5.48
728.5583
PE 36:4
PE 36:4
ME583246
-
-
5.49
740.5217
PE P-34:1 or PE O-34:2
PE P-34:1 or PE O-34:2
ME583160
-
-
5.51
702.5429
PE P-34:2 or PE O-34:3
PE P-34:2 or PE O-34:3
ME583161
-
-
5.52
700.5263
PE 36:2
PE 36:2
ME583247
-
-
5.53
744.5531
PE 34:2
PE 34:2
ME583159
-
-
5.56
716.5214
C22 Sphingosine
C22 Sphingosine
ME583008
-
-
5.63
356.3516
Acisoga
Acisoga
ME582989
-
-
5.74
185.1283
C20 Sphingosine
C20 Sphingosine
ME583007
-
-
5.74
328.3203
7-Methylguanine
7-Methylguanine
ME582987
-
-
5.82
166.0721
C17 Sphinganine
C17 Sphinganine
ME583005
-
-
5.85
288.2891
Sphinganine
Sphinganine
ME583185
-
-
5.86
302.3047
C20 Sphinganine
C20 Sphinganine
ME583006
-
-
5.87
330.336
tridecylamine
Tridecylamine
ME583195
-
-
5.89
200.2372
C16 Sphingosine
C16 Sphingosine
ME583004
-
-
5.9
272.258
Tetradecylamine
Tetradecylamine
ME583190
-
-
5.95
214.2527
Solanidine
Solanidine
ME583184
-
-
5.99
398.3409
threosphingosine
-
ME583194
-
-
6.01
300.2893
Taurine
Taurine
ME583189
-
-
6.08
126.022
Phe-Trp
Phe-Trp
ME583167
-
-
6.13
352.1649
LPE P-18:0 or LPE O-18:1
LPE P-18:0 or LPE O-18:1
ME583113
-
-
6.15
466.3286
Cytosine
Cytosine
ME583050
-
-
6.22
112.0504
LPE 22:6
LPE 22:6
ME583238
-
-
6.24
526.2926
Ile-Trp
Ile-Trp
ME583078
-
-
6.26
318.1805
LPE 18:0
LPE 18:0
ME583107
-
-
6.26
482.3236
LPE 20:3
LPE 20:3
ME583112
-
-
6.27
504.3075
LPE 20:4
LPE 20:4
ME583236
-
-
6.27
502.2924
Monoethylglycinexylidide
Monoethylglycinexylidide
ME583120
-
-
6.27
207.149
LPE 18:1
LPE 18:1
ME583108
-
-
6.28
480.3079
Phe-Phe
Phe-Phe
ME583166
-
-
6.28
313.154
LPE 17:0
LPE 17:0
ME583106
-
-
6.3
468.3079
LPE 18:2
LPE 18:2
ME583109
-
-
6.32
478.2923
LPE 16:0
LPE 16:0
ME583104
-
-
6.33
454.2922
CAR 26:0
CAR 26:0
ME583228
-
-
6.34
540.4985
LPE 18:3
LPE 18:3
ME583110
-
-
6.34
476.2754
Phe-Ile
Phe-Ile
ME583163
-
-
6.34
279.1698
Serotonin
Serotonin
ME583177
-
-
6.34
177.1021
LPE 16:1
LPE 16:1
ME583105
-
-
6.36
452.2765
PC 34:2
PC 34:2
ME583150
-
-
6.47
758.5678
2-Aminooctanoic acid
2-Aminocaprylic acid
ME583223
-
-
6.48
160.132999999999
PC P-38:5 or PC O-38:6
PC P-38:5 or PC O-38:6
ME583244
-
-
6.52
792.5888
Creatinine
Creatinine
ME583048
-
-
6.53
114.0662
PC P-38:6 or PC O-38:7
PC P-38:6 or PC O-38:7
ME583243
-
-
6.53
790.573
PC P-36:4 or PC O-36:5
PC P-36:4 or PC O-36:5
ME583242
-
-
6.56
766.5729
Leu-Leu
Leu-Leu
ME583086
-
-
6.58
245.1856
Leu-Phe
Leu-Phe
ME583087
-
-
6.59
279.1698
CAR 20:4
CAR 20:4
ME583021
-
-
6.62
448.3415
PC P-34:2 or PC O-34:3
PC P-34:2 or PC O-34:3
ME583158
-
-
6.64
742.5737
CAR 18:0
CAR 18:0
ME583017
-
-
6.65
428.3726
CAR 18:1
CAR 18:1
ME583018
-
-
6.67
426.356999999999
PC 34:3
PC 34:3
ME583151
-
-
6.71
756.5521
CAR 18:2
CAR 18:2
ME583019
-
-
6.72
424.3414
PC P-34:0 or PC O-34:1
PC P-34:0 or PC O-34:1
ME583156
-
-
6.72
746.6058
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-32:0 or PC O-32:1
PC P-32:0 or PC O-32:1
ME583155
-
-
6.74
718.5733
PC 32:0
PC 32:0
ME583149
-
-
6.75
734.569
PC 32:2
PC 32:2
ME583240
-
-
6.75
730.5372
CAR 16:0
CAR 16:0
ME583016
-
-
6.76
400.3414
PC 34:4
PC 34:4
ME583241
-
-
6.76
754.5356
Tryptophan
Tryptophan
ME583198
-
-
6.76
205.097137
PC 36:2
PC 36:2
ME583152
-
-
6.77
786.597778
PC O-32:0
PC O-32:0
ME583154
-
-
6.77
720.5893
PE 34:0
PE 34:0
ME583245
-
-
6.77
720.5529
PC 30:0
PC 30:0
ME583239
-
-
6.78
706.5371
PS P-36:1 or PS O-36:2
PS P-36:1 or PS O-36:2
ME583256
-
-
6.82
774.5629
CAR 14:0
CAR 14:0
ME583013
-
-
6.87
372.3101
CAR 14:1
CAR 14:1
ME583014
-
-
6.87
370.2945
Ile-Val
Ile-Val
ME583079
-
-
6.89
231.17
CAR 14:2
CAR 14:2
ME583015
-
-
6.94
368.2788
Phenylalanine
Phenylalanine
ME583164
-
-
6.97
166.086319
Phenylalanine-d8 [iSTD]
-
ME583165
-
-
6.98
174.136505
CAR 12:0
CAR 12:0
ME583011
-
-
7.02
344.2788
CAR 12:1
CAR 12:1
ME583012
-
-
7.04
342.2632
Methylguanidine
Methylguanidine
ME583118
-
-
7.04
74.071331
Methionine
Methionine
ME583116
-
-
7.05
150.0581
Tyrosine
Tyrosine
ME583199
-
-
7.08
182.081299
SM 18:1;O2/22:0
SM 18:1;O2/22:0
ME583260
-
-
7.09
787.6678
SM 18:1;O2/20:0
SM 18:1;O2/20:0
ME583259
-
-
7.13
759.6359
CAR 10:0
CAR 10:0
ME583227
-
-
7.19
316.2476
SM 18:1;O2/18:0
SM 18:1;O2/18:0
ME583258
-
-
7.2
731.6053
SM 18:1;O2/18:1
SM 18:1;O2/18:1
ME583257
-
-
7.21
729.5895
Leucine
Leucine
ME583085
-
-
7.22
132.101944
CAR 10:1
CAR 10:1
ME583010
-
-
7.23
314.2319
CAR 9:0
CAR 9:0
ME583028
-
-
7.25
302.2319
SM 18:1;O2/16:0
SM 18:1;O2/16:0
ME583179
-
-
7.25
703.5735
SM 18:1;O2/16:1
SM 18:1;O2/16:1
ME583180
-
-
7.26
701.5579
SM 18:1;O2/18:3
SM 18:1;O2/18:3
ME583181
-
-
7.29
725.5557
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME583209
-
-
7.35
146.0921
Isoleucine
Isoleucine
ME583082
-
-
7.36
132.101944
CAR 8:0
CAR 8:0
ME583027
-
-
7.38
288.2164
Lenticin
Lenticin
ME583084
-
-
7.39
247.1437
SM 18:1;O2/14:0
SM 18:1;O2/14:0
ME583178
-
-
7.39
675.5421
Glu-Ile
Glu-Ile
ME583064
-
-
7.4
261.144
O-ethyl-homoserine
O-Ethylhomoserine
ME583144
-
-
7.49
148.0965
LPC(P-18:0)/LPC(O-18:1)_B
LPC P-18:0 or LPC O-18:1
ME583103
-
-
7.54
508.3759
Diethanolamine
Diethanolamine
ME583058
-
-
7.56
106.0862
LPC 20:3_a
LPC 20:3
ME583097
-
-
7.56
546.3534
Threonine
Threonine
ME583193
-
-
7.56
120.0658
Glutamic acid
Glutamic acid
ME583065
-
-
7.59
148.0601
CAR 6:0
CAR 6:0
ME583225
-
-
7.61
260.1852
CAR 7:0
CAR 7:0
ME583226
-
-
7.64
274.200958
Serine
Serine
ME583176
-
-
7.64
106.0498
LPC 20:1
LPC 20:1
ME583096
-
-
7.65
550.3867
LPC P-16:0 or LPC O-16:1
LPC P-16:0 or LPC O-16:1
ME583101
-
-
7.66
480.3444
Valine
Valine
ME583204
-
-
7.67
118.086243
LPC 22:5
LPC 22:5
ME583235
-
-
7.68
570.355
Imidazolepropionic acid
Imidazolepropionic acid
ME583080
-
-
7.69
141.065903
LPC 22:6
LPC 22:6
ME583234
-
-
7.69
568.3388
Valine-d8 [iSTD]
-
ME583205
-
-
7.69
126.136513
PC O-18:0 (C16-PAF)
-
ME583153
-
-
7.7
524.3708
1-Methyladenosine
1-Methyladenosine
ME583207
-
-
7.72
282.1192
LPC 20:4
LPC 20:4
ME583098
-
-
7.73
544.3392
LPC 18:1
LPC 18:1
ME583093
-
-
7.74
522.3551
Triethanolamine
Triethanolamine
ME583196
-
-
7.75
150.1122
LPE 20:0
LPE 20:0
ME583111
-
-
7.76
510.3551
LPC 20:3_b
LPC 20:3
ME583233
-
-
7.776166667
546.3536783
LPC 18:2
LPC 18:2
ME583094
-
-
7.8
520.3394
LPC 20:5
LPC 20:5
ME583232
-
-
7.8
542.3218
LPE 20:1
LPE 20:1
ME583237
-
-
7.8
508.3396
Alanine
Alanine
ME582993
-
-
7.81
90.0549
LPC 16:0
LPC 16:0
ME583091
-
-
7.81
496.3392
LPC 18:3
LPC 18:3
ME583095
-
-
7.81
518.3216
LPC O-18:0
LPC O-18:0
ME583100
-
-
7.81
510.3911
CAR 5:0
CAR 5:0
ME583025
-
-
7.84
246.1696
LPC P-18:0 or LPC O-18:1
LPC P-18:0 or LPC O-18:1
ME583102
-
-
7.85
508.3758
Asparagine
Asparagine
ME582999
-
-
7.87
133.0607
Guanidoacetic acid
Guanidoacetic acid
ME583073
-
-
7.87
118.0612
Hydroxyproline
Hydroxyproline
ME583076
-
-
7.87
132.0655
LPC 16:1
LPC 16:1
ME583092
-
-
7.87
494.3239
LPC 15:0
LPC 15:0
ME583090
-
-
7.88
482.3238
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME583063
-
-
7.9
104.07061
CAR 5:1
CAR 5:1
ME583026
-
-
7.91
244.154
Glycine
Glycine
ME583069
-
-
7.91
76.0393
LPC O-16:0
LPC O-16:0
ME583099
-
-
7.93
482.36
Ala-Ala
Ala-Ala
ME582992
-
-
7.94
161.0918
LPC 14:0
LPC 14:0
ME583089
-
-
7.95
468.3079
Aminoisobutyric acid
Aminoisobutyric acid
ME582996
-
-
7.98
104.07061
N-Acetylputrescine
N-Acetylputrescine
ME583139
-
-
7.98
131.1178
Hypotaurine
Hypotaurine
ME583217
-
-
8
110.0269
Glutamine
Glutamine
ME583066
-
-
8.02
147.0761
Pipecolic acid
Pipecolic acid
ME583168
-
-
8.02
130.0861
CAR 4:0
CAR 4:0
ME583023
-
-
8.05
232.154
DMGV
DMGV
ME583215
-
-
8.07575
202.118762
Proline
Proline
ME583172
-
-
8.14
116.0706
5-Amino-levulinic acid
5-Amino-levulinic acid
ME582986
-
-
8.15
132.06559
CAR DC6:0
CAR DC6:0
ME583031
-
-
8.16
290.1593
Aspartic acid
Aspartic acid
ME583000
-
-
8.18
134.044815
N-Acetylarginine
N-Acetylarginine
ME583131
-
-
8.19
217.1293
N-Acetylisoputreanine
N-Acetylisoputreanine
ME583136
-
-
8.19
203.1389
Pro-Ala/Ala-Pro
-
ME583170
-
-
8.19
187.1076
beta-Alanine
beta-Alanine
ME583001
-
-
8.21
90.055016
1-Methyl nicotinamide
1-Methyl nicotinamide
ME582974
-
-
8.27
137.0707
Choline
Choline
ME583044
-
-
8.32
104.1068
Trimethylamine N-oxide
Trimethylamine N-oxide
ME583231
-
-
8.32
76.075737
Creatine
Creatine
ME583047
-
-
8.33
132.0767
CAR DC5:0
CAR DC5:0
ME583030
-
-
8.34
276.1436
Citrulline
Citrulline
ME583046
-
-
8.35
176.1028
N-Acetylhistidine
N-Acetylhistidine
ME583135
-
-
8.35
198.0848
CAR 3:0
CAR 3:0
ME583022
-
-
8.36
218.1385
N6-Acetyllysine
N6-Acetyllysine
ME583128
-
-
8.4
189.1232
N-Acetylornithine
N-Acetylornithine
ME583138
-
-
8.43
175.1076
Pro-Gly
Pro-Gly
ME583171
-
-
8.5
173.0919
CAR DC3:0;2Me
CAR DC3:0;2Me
ME583029
-
-
8.56
262.1281
Dimethylglycine
Dimethylglycine
ME583060
-
-
8.56
104.0705
S-Methylcysteine S-oxide
S-Methylcysteine S-oxide
ME583182
-
-
8.58
152.0383
Methionine sulfoxide
Methionine sulfoxide
ME583117
-
-
8.63
166.0531
N-Methyl-proline
N-Methyl-proline
ME583143
-
-
8.67
130.0862
CAR 2:0
CAR 2:0
ME583020
-
-
8.69
204.1228
3-Dehydroxycarnitine
3-Dehydroxycarnitine
ME582980
-
-
8.78
146.1173
Carnitine
Carnitine
ME583032
-
-
8.82
162.1121
CAR 4:0;OH
CAR 4:0;OH
ME583024
-
-
8.87
248.1489
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME583119
-
-
8.87
141.0655
Trigonelline
Trigonelline
ME583197
-
-
8.92
138.0547
Ectoine
Ectoine
ME583062
-
-
8.95
143.0813
Gly-Pro
Gly-Pro
ME583072
-
-
8.98
173.0919
Betaine
Betaine
ME583002
-
-
9.02
118.0862
Histidine
Histidine
ME583075
-
-
9.12
156.0766
Arginine
Arginine
ME582998
-
-
9.14
175.1188
Homoarginine
Homoarginine
ME583216
-
-
9.22
189.1345
Histamine
Histamine
ME583074
-
-
9.23
112.0868
Ornithine
Ornithine
ME583146
-
-
9.26
133.0971
Cystine
Cystine
ME583214
-
-
9.29
241.031036
Val-Arg/Val-Arg
-
ME583203
-
-
9.29
274.1869
Agmatine
Agmatine
ME582991
-
-
9.31
131.129257
Proline betaine
Proline betaine
ME583173
-
-
9.31
144.1016
Targinine
Targinine
ME583188
-
-
9.37
189.1345
Gly-Arg
Gly-Arg
ME583067
-
-
9.57
232.1401
Lysine
Lysine
ME583218
-
-
9.58
169.0948
N(6)-Methyllysine
N(6)-Methyllysine
ME583123
-
-
9.68
161.1282
Lys-Gly
Lys-Gly
ME583114
-
-
9.72
204.1341
3-Methylhistidine
3-Methylhistidine
ME582981
-
-
9.77
170.0922
1-Methylhistamine
1-Methylhistamine
ME582977
-
-
9.78
126.102642
N-methylhistamine
1-Methylhistamine
ME583142
-
-
9.78
126.102642
Thiamine
Thiamine
ME583192
-
-
9.78
265.1113
Symmetric dimethyl-arginine
Symmetric dimethylarginine
ME583187
-
-
9.82
203.150299
N1-Acetylspermidine
N1-Acetylspermidine
ME583125
-
-
9.86
188.1756
Dimethylarginine
Dimethylarginine
ME583059
-
-
9.92
203.150314
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
DG 36:0
DG 36:0
ME583296
-
-
10.09
647.557
SM 18:1;O2/24:0
SM 18:1;O2/24:0
ME583398
-
-
10.13
815.6993
Cer 18:1;O2/24:0
Cer 18:1;O2/24:0
ME583280
-
-
10.23
650.6438
DG 38:1
DG 38:1
ME583301
-
-
10.23
673.5737
TG 43:2
TG 43:2
ME583405
-
-
10.66
755.615
TG 46:4
TG 46:4
ME583416
-
-
10.68
793.6308
TG 48:5
TG 48:5
ME583425
-
-
10.76
819.6461
TG 41:0
TG 41:0
ME583401
-
-
10.78
731.6151
TG 44:2
TG 44:2
ME583408
-
-
10.81
769.6307
TG 54:9
TG 54:9
ME583457
-
-
10.81
895.6782
TG 43:1
TG 43:1
ME583404
-
-
10.88
757.6307
TG 46:3
TG 46:3
ME583415
-
-
10.89
795.646
TG 50:6
TG 50:6
ME583435
-
-
10.93
845.6618
TG 42:0
TG 42:0
ME583402
-
-
10.94
745.6308
TG 45:2
TG 45:2
ME583411
-
-
10.95
783.6463
TG 48:4
TG 48:4
ME583424
-
-
10.97
821.6616
Coenzyme Q9
Coenzyme Q9
ME583285
-
-
11.01
817.6098
TG 54:8
TG 54:8
ME583456
-
-
11.01
897.6934
TG 52:7
TG 52:7
ME583447
-
-
11.02
871.6777
TG 44:1
TG 44:1
ME583407
-
-
11.03
771.6463
TG 56:10
TG 56:10
ME583460
-
-
11.04
921.6944
TG 50:5
TG 50:5
ME583434
-
-
11.05
847.6772
TG 43:0
TG 43:0
ME583403
-
-
11.08
759.6466
TG 46:2
TG 46:2
ME583414
-
-
11.1
797.6614
TG 52:6
TG 52:6
ME583446
-
-
11.14
873.693
TG 58:11
TG 58:11
ME583473
-
-
11.16
947.7089
TG 45:1
TG 45:1
ME583410
-
-
11.17
785.661999999999
TG 48:3
TG 48:3
ME583423
-
-
11.18
823.677
TG 56:9
TG 56:9
ME583469
-
-
11.19
923.7091
TG 44:0
TG 44:0
ME583406
-
-
11.25
773.6619
TG 47:2
TG 47:2
ME583419
-
-
11.25
811.6775
TG 60:12
TG 60:12
ME583481
-
-
11.29
973.725
TG 58:10
TG 58:10
ME583472
-
-
11.31
949.7239
TG 46:1
TG 46:1
ME583413
-
-
11.32
799.6776
TG 49:3
TG 49:3
ME583429
-
-
11.33
837.6933
CE 20:5
CE 20:5
ME583272
-
-
11.38
693.557
TG 45:0
TG 45:0
ME583409
-
-
11.38
787.6772
TG 48:2
TG 48:2
ME583422
-
-
11.4
825.6923
TG 51:4
TG 51:4
ME583440
-
-
11.41
863.7087
TG 54:6
TG 54:6
ME583455
-
-
11.43
901.7234
TG 56:8
TG 56:8
ME583468
-
-
11.45
925.7239
TG 47:1
TG 47:1
ME583418
-
-
11.47
813.6935
TG 50:3
TG 50:3
ME583433
-
-
11.49
851.7078
CE 22:6
CE 22:6
ME583275
-
-
11.5
719.5727
CE 18:3
CE 18:3
ME583269
-
-
11.51
669.557
TG 58:9
TG 58:9
ME583480
-
-
11.53
951.7383
TG 46:0
TG 46:0
ME583412
-
-
11.54
801.6926
TG 49:2
TG 49:2
ME583428
-
-
11.55
839.7094
TG 52:4
TG 52:4
ME583445
-
-
11.57
877.7235
coenzyme Q10
Coenzyme Q10
ME583284
-
-
11.58
885.6728
CE 14:0
CE 14:0
ME583263
-
-
11.59
619.5415
CE 20:4
CE 20:4
ME583271
-
-
11.62
695.5725
TG 48:1
TG 48:1
ME583421
-
-
11.63
827.7086
TG 56:7
TG 56:7
ME583467
-
-
11.63
927.7388
TG 51:3
TG 51:3
ME583439
-
-
11.64
865.7245
TG 54:5
TG 54:5
ME583454
-
-
11.66
903.7398
CE 16:1
CE 16:1
ME583265
-
-
11.68
645.5571
TG 47:0
TG 47:0
ME583417
-
-
11.69
815.7088
CE 22:5
CE 22:5
ME583274
-
-
11.7
721.5885
TG 50:2
TG 50:2
ME583432
-
-
11.71
853.7242
CE 18:2
CE 18:2
ME583268
-
-
11.75
671.5726
TG 58:8
TG 58:8
ME583479
-
-
11.76
953.7555
TG 49:1
TG 49:1
ME583427
-
-
11.79
841.7245
TG 52:3
TG 52:3
ME583444
-
-
11.81
879.7398
TG 56:6
TG 56:6
ME583466
-
-
11.86
929.7544
CE 20:3
CE 20:3
ME583270
-
-
11.87
697.5882
TG 48:0
TG 48:0
ME583420
-
-
11.87
829.7249
TG 58:7_a
TG 58:7
ME583477
-
-
11.87
955.7703
TG 51:2
TG 51:2
ME583438
-
-
11.88
867.7402
TG 54:4
TG 54:4
ME583453
-
-
11.9
905.7555
TG 50:1
TG 50:1
ME583431
-
-
11.96
855.74
TG 53:3
TG 53:3
ME583449
-
-
11.97
893.7559
CE 16:0
CE 16:0
ME583264
-
-
11.98
647.5728
CE 22:4
CE 22:4
ME583273
-
-
12
723.6039
TG 58:7_b
TG 58:7
ME583478
-
-
12
955.7715
TG 49:0
TG 49:0
ME583426
-
-
12.01
843.74
TG 56:5_a
TG 56:5
ME583464
-
-
12.01
931.7708
TG 52:2
TG 52:2
ME583443
-
-
12.05
881.7554
CE 18:1
CE 18:1
ME583267
-
-
12.08
673.5883
TG 56:5_b
TG 56:5
ME583465
-
-
12.1
931.7714
TG 51:1
TG 51:1
ME583437
-
-
12.12
869.7562
TG 58:6
TG 58:6
ME583476
-
-
12.12
957.786999999999
TG 54:3
TG 54:3
ME583452
-
-
12.14
907.7711
TG 50:0
TG 50:0
ME583430
-
-
12.22
857.7557
TG 53:2
TG 53:2
ME583448
-
-
12.22
895.7715
TG 56:4
TG 56:4
ME583463
-
-
12.23
933.7869
TG 52:1
TG 52:1
ME583442
-
-
12.3
883.7711
TG 55:3
TG 55:3
ME583458
-
-
12.32
921.7875
TG 51:0
TG 51:0
ME583436
-
-
12.37
871.7714
TG 54:2
TG 54:2
ME583451
-
-
12.4
909.7868
CE 18:0
CE 18:0
ME583266
-
-
12.42
675.6039
TG 56:3
TG 56:3
ME583462
-
-
12.49
935.8036
TG 52:0
TG 52:0
ME583441
-
-
12.58
885.7868
TG 54:1
TG 54:1
ME583450
-
-
12.67
911.8027
TG 56:2
TG 56:2
ME583461
-
-
12.78
937.8183
TG 58:3
TG 58:3
ME583475
-
-
12.89
963.8346
TG 57:2
TG 57:2
ME583470
-
-
12.98
951.8345
TG 56:1
TG 56:1
ME583459
-
-
13.08
939.8347
TG 58:2
TG 58:2
ME583474
-
-
13.19
965.85
TG 60:3
TG 60:3
ME583483
-
-
13.31
991.8653
TG 58:1
TG 58:1
ME583471
-
-
13.51
967.8656
TG 60:2
TG 60:2
ME583482
-
-
13.64
993.8813
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
LPC 14:0
LPC 14:0
ME583307
-
-
4.5
468.3086
LPC 16:1
LPC 16:1
ME583309
-
-
4.65
494.3242
MG 14:0_b
MG 14:0
ME583328
-
-
4.81
325.2346
LPC 18:2
LPC 18:2
ME583313
-
-
4.84
520.3399
LPC 20:5
LPC 20:5
ME583318
-
-
4.84
542.3216
LPC 22:6
LPC 22:6
ME583319
-
-
4.84
568.3399
LPE 18:2
LPE 18:2
ME583325
-
-
4.85
478.2929
LPE 22:6
LPE 22:6
ME583327
-
-
4.85
526.2923
LPC 20:4
LPC 20:4
ME583317
-
-
4.86
544.3398
LPC 18:3
LPC 18:3
ME583314
-
-
4.88
518.3219
LPE 20:4
LPE 20:4
ME583326
-
-
4.88
502.2926
LPC 16:0
LPC 16:0
ME583308
-
-
5.01
496.3397
LPC 20:3
LPC 20:3
ME583316
-
-
5.01
518.3216
LPE 16:0
LPE 16:0
ME583322
-
-
5.03
454.2927
MG 16:1
MG 16:1
ME583329
-
-
5.1
339.2504
LPC 18:1
LPC 18:1
ME583312
-
-
5.19
522.3556
LPC 24:0
LPC 24:0
ME583320
-
-
5.19
544.3372
LPE 18:1
LPE 18:1
ME583324
-
-
5.21
480.3086
LPC 17:0
LPC 17:0
ME583310
-
-
5.3
510.3556
LPC 18:0
LPC 18:0
ME583311
-
-
5.6
524.3712
LPE 18:0
LPE 18:0
ME583323
-
-
5.62
482.324
LPC 19:0
LPC 19:0
ME583315
-
-
5.92
538.3868
LPC O-18:0
LPC O-18:0
ME583321
-
-
5.99
510.3921
MG 18:0
MG 18:0
ME583330
-
-
6.04
381.2971
cholesterol b-glucoside/galactoside
-
ME583283
-
-
6.52
571.3966
C24:0 PC
PC 24:0
ME583262
-
-
6.72
622.4436
Cholesterol
Cholesterol
ME583282
-
-
7.59
369.3512
beta-tocopherol
beta-tocopherol
ME583261
-
-
7.88
416.3643
SM 18:1;O2/14:0
SM 18:1;O2/14:0
ME583390
-
-
7.9
675.5428
PC 30:1
PC 30:1
ME583332
-
-
8.04
704.5218
SM 18:1;O2/16:1
SM 18:1;O2/16:1
ME583392
-
-
8.05
701.5584
PE 32:0
PE 32:0
ME583366
-
-
8.11
692.5218
PC 32:2
PC 32:2
ME583336
-
-
8.18
730.5372
PC 34:4
PC 34:4
ME583341
-
-
8.21
754.5368
PC 40:10
PC 40:10
ME583351
-
-
8.33
826.5349
PC 30:0
PC 30:0
ME583331
-
-
8.37
706.5371
PC 34:3
PC 34:3
ME583340
-
-
8.38
756.5526
SM 18:1;O2/16:0
SM 18:1;O2/16:0
ME583391
-
-
8.41
703.5742
PS 34:0
PS 34:0
ME583388
-
-
8.42
764.5468
PC 36:4_a
PC 36:4
ME583345
-
-
8.49
782.5679
PC 32:1
PC 32:1
ME583335
-
-
8.52
732.5528
Cer 18:1;O2/16:0
Cer 18:1;O2/16:0
ME583276
-
-
8.54
538.5191
SM 18:1;O2/18:1
SM 18:1;O2/18:1
ME583394
-
-
8.58
729.5896
PC 31:0
PC 31:0
ME583333
-
-
8.6
720.5528
PC 38:6
PC 38:6
ME583350
-
-
8.63
806.5678
PC 40:9
PC 40:9
ME583353
-
-
8.63
828.5499
PE 38:6
PE 38:6
ME583374
-
-
8.63
764.5216
PC 34:2
PC 34:2
ME583339
-
-
8.67
758.5688
PE 34:2
PE 34:2
ME583367
-
-
8.68
716.5225
PC 36:4_b
PC 36:4
ME583346
-
-
8.69
782.5675
PE 36:4
PE 36:4
ME583371
-
-
8.7
740.5234
DG 32:2
DG 32:2
ME583289
-
-
8.74
587.4637
PS 40:6
PS 40:6
ME583389
-
-
8.76
836.5372
PC 32:0
PC 32:0
ME583334
-
-
8.83
734.5686
PE 38:5
PE 38:5
ME583373
-
-
8.84
766.5388
DG 34:3
DG 34:3
ME583293
-
-
8.89
613.4796
PC P-34:3 or PC O-34:4
PC P-34:3 or PC O-34:4
ME583357
-
-
8.89
740.5551
SM 18:1;O2/18:0
SM 18:1;O2/18:0
ME583393
-
-
8.89
731.6053
PC 35:2
PC 35:2
ME583342
-
-
8.9
772.5838
PC P-38:6 or PC O-38:7
PC P-38:6 or PC O-38:7
ME583365
-
-
8.9
790.5732
DG 30:0
DG 30:0
ME583286
-
-
8.91
563.4642
PE P-38:6 or PE O-38:7
PE P-38:6 or PE O-38:7
ME583385
-
-
8.91
748.5264
PC P-34:2 or PC O-34:3
PC P-34:2 or PC O-34:3
ME583356
-
-
8.97
742.5737
PC P-36:4 or PC O-36:5
PC P-36:4 or PC O-36:5
ME583363
-
-
8.97
766.5725
PE P-34:2 or PE O-34:3
PE P-34:2 or PE O-34:3
ME583376
-
-
8.97
700.5271
PC 34:1
PC 34:1
ME583338
-
-
8.98
760.5845
PE P-36:4 or PE O-36:5
PE P-36:4 or PE O-36:5
ME583381
-
-
8.98
724.5267
PC P-36:3 or PC O-36:4_a
PC P-36:3 or PC O-36:4
ME583362
-
-
9
768.5879
PE 36:0
PE 36:0
ME583368
-
-
9
748.5844
DG 36:4
DG 36:4
ME583300
-
-
9.02
639.4951
Cer 18:1;O2/18:0
Cer 18:1;O2/18:0
ME583277
-
-
9.03
566.5501
DG 32:1
DG 32:1
ME583288
-
-
9.04
589.4797
PE 40:6
PE 40:6
ME583375
-
-
9.07
792.5529
PC 40:6
PC 40:6
ME583352
-
-
9.08
834.5989
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-38:5 or PE O-38:6
PE P-38:5 or PE O-38:6
ME583384
-
-
9.09
750.5417
PC 36:2
PC 36:2
ME583344
-
-
9.12
786.6002
PE 36:2
PE 36:2
ME583370
-
-
9.12
744.5532
PC 38:4
PC 38:4
ME583349
-
-
9.14
810.5986
PE 38:4
PE 38:4
ME583372
-
-
9.14
768.5533
PE P-38:2 or PE O-38:3
PE P-38:2 or PE O-38:3
ME583382
-
-
9.15
756.5883
DG 34:2
DG 34:2
ME583292
-
-
9.19
615.4952
PC P-34:4 or PC O-34:5
PC P-34:4 or PC O-34:5
ME583358
-
-
9.2
738.5422
PC P-34:0 or PC O-34:1_a
PC P-34:0 or PC O-34:1
ME583354
-
-
9.26
746.6046
PC P-34:1 or PC O-34:2
PC P-34:1 or PC O-34:2
ME583355
-
-
9.26
744.588999999999
PC 34:0
PC 34:0
ME583337
-
-
9.27
762.5995
PC 38:3
PC 38:3
ME583348
-
-
9.27
812.6148
DG 38:5
DG 38:5
ME583306
-
-
9.28
665.5105
DG 36:3
DG 36:3
ME583299
-
-
9.3
641.5107
PE P-36:0 or PE O-36:1
PE P-36:0 or PE O-36:1
ME583378
-
-
9.3
732.5895
PE P-40:8 or PE O-40:7
-
ME583386
-
-
9.33
776.5573
DG 32:0
DG 32:0
ME583287
-
-
9.34
591.4955
DG 35:2
DG 35:2
ME583295
-
-
9.37
629.5103
PC 36:1
PC 36:1
ME583343
-
-
9.4
788.6154
PC P-36:2 or PC O-36:3
PC P-36:2 or PC O-36:3
ME583361
-
-
9.4
770.6047
PE 36:1
PE 36:1
ME583369
-
-
9.4
746.5695
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;O2/20:0
SM 18:1;O2/20:0
ME583395
-
-
9.4
759.6366
PC P-36:1 or PC O-36:2
PC P-36:1 or PC O-36:2
ME583360
-
-
9.41
772.6202
PE P-38:4 or PE O-38:5
PE P-38:4 or PE O-38:5
ME583383
-
-
9.41
752.558
PC P-38:3 or PC O-38:4_a
PC P-38:3 or PC O-38:4
ME583364
-
-
9.43
796.6201
Cer 18:1;O2/20:0
Cer 18:1;O2/20:0
ME583278
-
-
9.45
594.5814
DG 38:4_b
DG 38:4
ME583305
-
-
9.45
667.5262
DG 34:1
DG 34:1
ME583291
-
-
9.46
617.5107
PC 38:2
PC 38:2
ME583347
-
-
9.48
814.6306
SM 18:1;O2/22:1
SM 18:1;O2/22:1
ME583397
-
-
9.49
785.6523
DG 36:2
DG 36:2
ME583298
-
-
9.59
643.5264
DG 38:4_a
DG 38:4
ME583304
-
-
9.59
667.5264
DG 35:1
DG 35:1
ME583294
-
-
9.64
631.5267
PE P-36:1 or PE O-36:2
PE P-36:1 or PE O-36:2
ME583377
-
-
9.67
730.5737
DG 38:3
DG 38:3
ME583303
-
-
9.68
669.5421
PC P-36:0 or PC O-36:1
PC P-36:0 or PC O-36:1
ME583359
-
-
9.68
774.6341
DG 34:0
DG 34:0
ME583290
-
-
9.72
619.5266
SM 18:1;O2/22:0
SM 18:1;O2/22:0
ME583396
-
-
9.75
787.6681
SM 18:1;O2/24:1
SM 18:1;O2/24:1
ME583399
-
-
9.79
813.6835
Cer 18:1;O2/22:0
Cer 18:1;O2/22:0
ME583279
-
-
9.85
622.6126
DG 36:1
DG 36:1
ME583297
-
-
9.86
645.5421
Cer 18:1;O2/24:1
Cer 18:1;O2/24:1
ME583281
-
-
9.9
648.6283
DG 38:2
DG 38:2
ME583302
-
-
9.95
671.5567
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
GDP
GDP
ME583528
-
-
10.26285714
442.01705
ATP
ATP
ME583520
-
-
11.36178571
505.98847
4-hydroxybenzeneacetonitrile
4-Hydroxybenzeneacetonitrile
ME583502
-
-
1.156086957
132.04549
thymine
Thymine
ME583578
-
-
1.24
125.0358
thymine-d4
Thymine
ME583485
-
-
1.3
129.0609
threitol
Threitol
ME583577
-
-
1.435454545
121.05063
fucose
Fucose
ME583591
-
-
1.52
163.0614
uracil
Uracil
ME583581
-
-
1.544328358
111.02
adonitol/arabitol
-
ME583510
-
-
1.67
151.0613
uridine
Uridine
ME583583
-
-
1.68
243.0623
sorbitol
Sorbitol
ME583570
-
-
1.87
181.072
fructose/glucose/galactose
Hexose
ME583526
-
-
1.973731343
179.05611
adenine
Adenine
ME583508
-
-
2.147368421
134.04722
pseudouridine
Pseudouridine
ME583564
-
-
2.17
243.0623
lactose
Lactose
ME583593
-
-
2.24
341.1095
sucrose/lactose/trehalose
-
ME583573
-
-
2.295522388
341.10893
2-aminoheptanoate
2-Aminoheptanoic acid
ME583493
-
-
2.363035714
144.103
4-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME583501
-
-
2.385820896
121.0295
7-methylxanthine
7-Methylxanthine
ME583505
-
-
2.437857143
165.0418
inositol
Inositol
ME583548
-
-
2.4675
179.05611
2-aminobutyrate
2-Aminobutyric acid
ME583492
-
-
2.85
102.0561
kynurenine
Kynurenine
ME583550
-
-
3.009166667
207.07752
hypoxanthine
Hypoxanthine
ME583542
-
-
3.05
135.0314
5-dodecenoate
5-Dodecenoic acid
ME583588
-
-
3.1
197.1549
acesulfame
Acesulfame
ME583589
-
-
3.1
161.9868
alpha-keto-beta-methylvalerate/alpha-ketoisocaproa...
-
ME583514
-
-
3.125074627
129.05572
inosine-15N4
Inosine
ME583486
-
-
3.148955224
271.06163
alpha-ketoisovalerate
Ketoisovaleric acid
ME583516
-
-
3.159666667
115.04007
inosine
Inosine
ME583547
-
-
3.160357143
267.07349
1-methylhistidine
1-Methylhistidine
ME583488
-
-
3.175744681
168.07785
taurodeoxycholate/taurochenodeoxycholate
-
ME583576
-
-
3.21375
498.28948
2-hydroxy-3-methylpentanoate/hydroxyisocaproate
-
ME583495
-
-
3.25
131.0715
2-hydroxy-3-methylbutyrate/hydroxyisovalerate
-
ME583494
-
-
3.3
117.0558
saccharin
Saccharin
ME583594
-
-
3.36
181.992
taurocholate
Taurocholic acid
ME583575
-
-
3.38125
514.2844
4-pyridoxate
4-Pyridoxic acid
ME583503
-
-
3.39
182.0461
gentisate
Gentisic acid
ME583529
-
-
3.4009375
153.01933
isovalerate/valerate/methylbutyrate
-
ME583549
-
-
3.436060606
101.0608
valerate/isovalerate
-
ME583595
-
-
3.44
101.0608
phenyllactate
Phenyllactic acid
ME583562
-
-
3.474920635
165.05572
alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxy...
-
ME583513
-
-
3.503283582
103.04007
butyrate
Butyric acid
ME583590
-
-
3.54
87.0452
hydrocinnamate
Hydrocinnamic acid
ME583592
-
-
3.55
149.0609
glycodeoxycholate/glycochenodeoxycholate
Glycodeoxycholic acid
ME583536
-
-
3.620566038
448.30685
hippurate
Hippuric acid
ME583540
-
-
3.631076923
178.05097
indoxylsulfate
Indoxyl sulfate
ME583546
-
-
3.648333333
212.0023
glycocholate-d4
Glycocholic acid
ME583487
-
-
3.68
468.3274
lactate
Lactic acid
ME583551
-
-
3.68
89.0245
pantothenate
Pantothenic acid
ME583559
-
-
3.68
218.1035
glycocholate
Glycocholic acid
ME583535
-
-
3.697258065
464.30176
propionate
Propionic acid
ME583563
-
-
3.726307692
73.0295
1-methylxanthine
1-Methylxanthine
ME583490
-
-
3.74575
165.0418
chenodeoxycholate/deoxycholate
Deoxycholic acid
ME583521
-
-
3.782
391.28538
nicotinate
Nicotinic acid
ME583557
-
-
3.817368421
122.02475
erythronate/threonate
-
ME583525
-
-
4.018208955
135.0299
quinate
Quinic acid
ME583566
-
-
4.018536585
191.05611
glycerate
Glyceric acid
ME583534
-
-
4.02
105.0194
3-3-hydroxyphenylpropionate
3-(3-Hydroxyphenyl)propanoic acid
ME583498
-
-
4.144042553
165.05572
indolelactate
Indolelactic acid
ME583545
-
-
4.174745763
204.06662
homovanillate
Homovanillic acid
ME583541
-
-
4.19
181.0509
indole-3-propionate
3-Indolepropionic acid
ME583544
-
-
4.24
188.0719
acetaminophen glucuronide
p-Acetamidophenylglucuronide
ME583506
-
-
4.290909091
326.08814
2-(3-hydroxyphenyl)acetic acid (mHPAA)
-
ME583586
-
-
4.36
151.0402
1-methylurate
1-Methyluric acid
ME583489
-
-
4.448059701
181.03671
glucuronate
Glucuronic acid
ME583530
-
-
4.626825397
193.03538
xanthine
Xanthine
ME583584
-
-
4.639402985
151.02615
glutamate
Glutamic acid
ME583531
-
-
4.874029851
146.04588
urate
Uric acid
ME583582
-
-
4.88
167.0212
aspartate
Aspartic acid
ME583519
-
-
4.89
132.0304
2-aminoadipate
alpha-Aminoadipic acid
ME583491
-
-
4.998153846
160.06153
pyruvate
Pyruvic acid
ME583565
-
-
5.193333333
87.00877
Ne-Ne dimethyllysine
-
ME583556
-
-
5.55
173.12955
glutathione reduced
Glutathione
ME583533
-
-
5.666
306.07653
salicylurate
Salicyluric acid
ME583568
-
-
5.706896552
194.04588
N-acetylglutamate
N-Acetylglutamic acid
ME583555
-
-
6.352537313
188.05645
3-hydroxymethylglutarate
3-Hydroxymethylglutaric acid
ME583587
-
-
6.41
161.0457
sebacate
Sebacic acid
ME583569
-
-
6.418656716
201.11323
adipate/methylglutarate
-
ME583509
-
-
6.423
145.0507971
suberate
Suberic acid
ME583571
-
-
6.447014925
173.08193
anhydroDglucose
-
ME583518
-
-
6.454328358
161.04555
3-methyladipate/pimelate
-
ME583499
-
-
6.492686567
159.06628
mesaconate
Mesaconic acid
ME583554
-
-
6.539402985
129.01933
CMPF
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME583524
-
-
6.573220339
239.0925
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME583496
-
-
6.579850746
147.0299
succinate
Succinic acid
ME583572
-
-
6.602985075
117.01933
fumarate/maleate
Fumaric acid
ME583527
-
-
6.6083
115.0037836
malate
Malic acid
ME583552
-
-
6.61
133.0144
tartarate
Tartaric acid
ME583574
-
-
6.764285714
149.00916
2-isopropylmalate
2-Isopropylmalic acid
ME583497
-
-
6.770384615
175.0612
malonate
Malonic acid
ME583553
-
-
6.845820896
103.00368
alpha-glycerophosphate
sn-Glycero-3-phosphate
ME583512
-
-
6.980666667
171.0064
pentose monophosphate
Ribose 5-phosphate
ME583560
-
-
7.041515152
229.01188
hexose monophosphate
Fructose 6-phosphate
ME583539
-
-
7.065818182
259.02244
alpha-ketoglutarate
2-Oxoglutaric acid
ME583515
-
-
7.129076923
145.01425
oxalate
Oxalic acid
ME583558
-
-
7.144029851
88.98803
quinolinate
Quinolinic acid
ME583567
-
-
7.153538462
166.01458
CMP
CMP
ME583523
-
-
7.215217391
322.04457
UMP
UMP
ME583580
-
-
7.311875
323.02859
AMP
AMP
ME583517
-
-
7.32
346.0563
glutathione oxidized
Glutathione
ME583532
-
-
7.499285714
611.14468
xanthurenate
Xanthurenic acid
ME583585
-
-
7.912826087
204.03023
GMP
GMP
ME583537
-
-
8.135
362.05072
IMP
IMP
ME583543
-
-
8.371818182
347.03982
6-phosphogluconate
6-Phosphogluconic acid
ME583504
-
-
8.454117647
275.01736
citrate/isocitrate
Citric acid/Isocitric acid
ME583522
-
-
8.683134328
191.01973
aconitate
trans-Aconitic acid
ME583507
-
-
8.7292
173.00916
3-phosphoglycerate
3-Phosphoglyceric acid
ME583500
-
-
8.819714286
184.98566
PEP
Phosphoenolpyruvic acid
ME583561
-
-
9.281666667
166.9751
UDP
UDP
ME583579
-
-
9.366666667
402.99492
ADP
ADP
ME583511
-
-
9.406433333
426.0227521
hexose diphosphate
-
ME583538
-
-
9.705625
338.98877
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Hexose
Hexose
ME583645
-
-
0.77
179.0552
Oxypurinol
Oxypurinol
ME583661
-
-
0.81
151.0249
Ribothymidine
Ribothymidine
ME583669
-
-
0.97
257.0779
N-Acetylalanine
N-Acetylalanine
ME583656
-
-
0.98
130.0497
Levulinic acid
Levulinic acid
ME583650
-
-
0.99
115.0388
Acesulfame
Acesulfame
ME583619
-
-
1.01
161.9856
Theophylline
Theophylline
ME583688
-
-
1.01
179.0564
Chenodeoxycholic acid
Chenodeoxycholic acid
ME583628
-
-
10.17
391.2854
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME583697
-
-
10.31
378.2415
Deoxycholic acid
Deoxycholic acid
ME583631
-
-
10.38
391.2857
Hexadecanedioic acid
Hexadecanedioic acid
ME583644
-
-
10.39
285.2072
Glycolithocholic acid
Glycolithocholic acid
ME583642
-
-
10.5
432.3118
Saccharin
Saccharin
ME583670
-
-
1.06
181.9908
Capric acid
Capric acid
ME583626
-
-
10.6
171.1382
Juniperic acid
Juniperic acid
ME583648
-
-
10.83
271.228
12-HEPE
12-HEPE
ME583682
-
-
11.04
317.212
N-Formylmethionine
N-Formylmethionine
ME583692
-
-
1.11
176.0378
13-HODE
13-HODE
ME583602
-
-
11.25
295.2276
5-Dodecenoic acid
5-Dodecenoic acid
ME583615
-
-
11.33
197.1538
15-HETE
15-HETE
ME583603
-
-
11.44
319.2278
10-HDoHE
10-HDoHE
ME583681
-
-
11.61
343.2277
11-HETE
11-HETE
ME583599
-
-
11.62
319.2279
11-HDoHE
11-HDoHE
ME583598
-
-
11.74
343.2276
12-HETE
12-HETE
ME583601
-
-
11.74
319.2277
2-Hydroxymyristic acid
2-Hydroxymyristic acid
ME583611
-
-
12.16
243.1962
Lauric acid
Lauric acid
ME583649
-
-
12.26
199.1695
9-cis-Retinoic acid
9-cis-Retinoic acid
ME583618
-
-
12.55
299.2016
10-Hydroxystearic Acid
-
ME583596
-
-
12.57
299.2591
Myristoleic acid
Myristoleic acid
ME583655
-
-
12.63
225.1855
Methyl dodecanoate
Methyl dodecanoate
ME583653
-
-
12.76
213.1855
Eicosanedioic acid
Eicosanedioic acid
ME583635
-
-
12.92
341.2697
Tridecylic acid
Tridecylic acid
ME583679
-
-
13.01
213.1855
3-Methyladipic acid
3-Methyladipic acid
ME583612
-
-
1.32
159.0655
Eicosapentaenoic acid
Eicosapentaenoic acid
ME583636
-
-
13.33
301.2173
Palmitoyl-EA
Palmitoyl-EA
ME583664
-
-
13.42
344.2806
alpha-Linolenic acid
alpha-Linolenic acid
ME583621
-
-
13.46
277.2172
alpha-N-Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME583622
-
-
1.36
263.1038
2-Hydroxy palmitic acid
2-Hydroxypalmitic acid
ME583610
-
-
13.64
271.228
Myristic acid
Myristic acid
ME583654
-
-
13.71
227.201
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME583667
-
-
1.38
151.0388
Docosahexaenoic acid
Docosahexaenoic acid
ME583632
-
-
13.82
327.2329
2-Aminooctanoic acid
2-Aminocaprylic acid
ME583689
-
-
1.39
158.1175
Palmitoleic acid
Palmitoleic acid
ME583663
-
-
13.93
253.217
Arachidonic acid
Arachidonic acid
ME583624
-
-
14.04
303.2328
4,7,10,13,16-Docosapentaenoic acid
4,7,10,13,16-Docosapentaenoic acid
ME583614
-
-
14.18
329.2485
Linoleic acid
Linoleic acid
ME583651
-
-
14.22
279.2327
Pentadecylic acid
Pentadecylic acid
ME583665
-
-
14.34
241.2169
10Z-Heptadecenoic acid
10Z-Heptadecenoic acid
ME583597
-
-
14.51
267.233
Eicosatrienoic acid
Eicosatrienoic acid
ME583637
-
-
14.53
305.2485
Adrenic acid
Adrenic acid
ME583620
-
-
14.83
331.2642
Palmitic acid
Palmitic acid
ME583662
-
-
14.91
255.2326
Oleic acid
Oleic acid
ME583660
-
-
15.04
281.2484
Eicosadienoic acid
Eicosadienoic acid
ME583634
-
-
15.19
307.2642
Margaric acid
Margaric acid
ME583652
-
-
15.42
269.2486
3S-Hydroxyhexanoic acid
3S-Hydroxyhexanoic acid
ME583613
-
-
1.55
131.0701
Nonadeca-10Z-enoic acid
Nonadeca-10Z-enoic acid
ME583658
-
-
15.52
295.2641
Stearic acid
Stearic acid
ME583673
-
-
15.9
283.2643
Eicosenoic acid
Eicosenoic acid
ME583638
-
-
15.93
309.2798
Phytanic acid
Phytanic acid
ME583668
-
-
16.15
311.2955
17-Methylstearate
Xi-17-Methyloctadecanoic acid
ME583609
-
-
16.2
297.2797
Nonadecylic acid
Nonadecylic acid
ME583659
-
-
16.34
297.2798
cis-Erucic acid
cis-Erucic acid
ME583630
-
-
16.78
337.3113
Arachidic acid
Arachidic acid
ME583623
-
-
16.79
311.2956
Nervonic acid
Nervonic acid
ME583657
-
-
17.74
365.3423
Mandelic acid
Mandelic acid
ME583694
-
-
1.82
151.0388
Salicyluric acid
Salicyluric acid
ME583696
-
-
1.98
194.0463
Phenyllactic acid
Phenyllactic acid
ME583666
-
-
2.21
165.0547
Salicylic acid
Salicylic acid
ME583671
-
-
2.85
137.0232
Cinnamoylglycine
Cinnamoylglycine
ME583685
-
-
3.08
204.0671
Azelaic acid
Azelaic acid
ME583625
-
-
3.54
187.0967
Indoleacetic acid
Indoleacetic acid
ME583647
-
-
3.76
174.0551
3-Hydroxyoctanoic acid
3-Hydroxyoctanoic acid
ME583691
-
-
5.5
159.1015
Sebacic acid
Sebacic acid
ME583672
-
-
5.72
201.1126
2-Hydroxyibuprofen
2-Hydroxyibuprofen
ME583683
-
-
5.82
221.1178
Hydrocinnamic acid
Hydrocinnamic acid
ME583693
-
-
5.85
149.0604
Pantoprazole
Pantoprazole
ME583695
-
-
6.07
382.0679
2-Hydroxyoctanoic acid
2-Hydroxyoctanoic acid
ME583684
-
-
6.39
159.1015
undecanedionate
Undecanedioic acid
ME583680
-
-
6.79
215.1283
Taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME583698
-
-
6.96
498.2897
Taurocholic acid
Taurocholic acid
ME583675
-
-
7.08
514.2844
Dodecanedioic acid
Dodecanedioic acid
ME583633
-
-
7.62
229.1441
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME583643
-
-
7.69
448.3069
Glycocholic acid
Glycocholic acid
ME583640
-
-
7.72
464.3016
15R-15-methyl PGF2a [iSTD]
-
ME583605
-
-
7.85
367.2489
7-Ketodeoxycholic acid
7-Ketodeoxycholic acid
ME583616
-
-
7.97
405.2651
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME583674
-
-
8.02
498.2898
15S-15-methyl PGE2 [iSTD]
-
ME583608
-
-
8.04
365.2332
Dehydroepiandrosterone sulfate
Dehydroepiandrosterone sulfate
ME583686
-
-
8.05
367.1585
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME583690
-
-
8.14
187.1331
15S-15-methyl PGE1 [iSTD]
-
ME583607
-
-
8.16
367.249
Taurodeoxycholic acid
Taurodeoxycholic acid
ME583676
-
-
8.28
498.2898
15S-15-methyl PGD2 [iSTD]
-
ME583606
-
-
8.3
365.2333
Caprylic acid
Caprylic acid
ME583627
-
-
8.68
143.1065
Cholic acid
Cholic acid
ME583629
-
-
8.75
407.2803
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME583639
-
-
8.85
448.3069
Hyodeoxycholic acid
Hyodeoxycholic acid
ME583646
-
-
8.87
391.2859
Tetradecanedioic acid
Tetradecanedioic acid
ME583678
-
-
9.05
257.1758
Glycodeoxycholic acid
Glycodeoxycholic acid
ME583641
-
-
9.09
448.307
15R-15-methyl PGA2 [iSTD]
-
ME583604
-
-
9.35
347.2228
Taurolithocholic acid
Taurolithocholic acid
ME583677
-
-
9.5
482.2935
12,13-diHOME
12,13-DiHOME
ME583600
-
-
9.79
313.2386
9,10-DiHOME
9,10-DiHOME
ME583617
-
-
9.99
313.2386
Ibuprofen
Ibuprofen
ME583687
-
-
9.99
205.1228
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel