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Return to study ST001439 main page
Analysis: None (Direct infusion) UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Isovaleric acid and/or Valeric acid
-
ME327324
-
-
-
101.061
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME327277
441
-
-
103.04
Cadaverine
Cadaverine
ME327161
273
-
-
103.123
GABA
gamma-Aminobutyric acid
ME327180
119
-
-
104.071
Choline
Choline
ME327164
305
-
-
104.108
Glyceric acid
Glyceric acid
ME327314
439194
-
-
105.019
Ser
Serine
ME327236
617
-
-
106.051
Diethanolamine
Diethanolamine
ME327175
8113
-
-
106.087
Hypotaurine
Hypotaurine
ME327198
107812
-
-
110.028
Cytosine
Cytosine
ME327173
597
-
-
112.052
Uracil
Uracil
ME327256
1174
-
-
113.034
Creatinine
Creatinine
ME327167
588
-
-
114.066
Fumaric acid
Fumaric acid
ME327306
444972
-
-
115.003
Hexanoic acid
Caproic acid
ME327318
8892
-
-
115.077
N-Acetylglycine
N-Acetylglycine
ME327340
10972
-
-
116.036
Pro
Proline
ME327228
614
-
-
116.071
Succinic acid
Succinic acid
ME327364
1110
-
-
117.019
2-Hydroxyvaleric acid
2-Hydroxyvaleric acid
ME327275
98009
-
-
117.055
5-Aminovaleric acid
5-Aminopentanoic acid
ME327143
138
-
-
118.087
Betaine
Betaine
ME327158
247
-
-
118.087
Val
Valine
ME327260
1182
-
-
118.087
Thr
Threonine
ME327245
6288
-
-
120.066
Betaine aldehyde_+H2O
Betaine aldehyde
ME327159
249
-
-
120.102
Cys
Cysteine
ME327168
594
-
-
122.028
Nicotinamide
Niacinamide
ME327220
936
-
-
123.056
Nicotinic acid
Nicotinic acid
ME327221
938
-
-
124.04
Isethionic acid
2-Hydroxyethanesulfonate
ME327321
7866
-
-
124.991
Taurine
Taurine
ME327241
1123
-
-
126.023
5-Methylcytosine
5-Methylcytosine
ME327145
65040
-
-
126.067
5-Oxoproline
Pyroglutamic acid
ME327283
7405
-
-
128.036
4-Methyl-2-oxovaleric acid and/or 3-Methyl-2-oxova...
-
ME327281
-
-
-
129.055
N-Acetylalanine
N-Acetylalanine
ME327333
88064
-
-
130.051
3-Ureidopropionic acid
Ureidopropionic acid
ME327279
111
-
-
131.047
2-Hydroxy-4-methylvaleric acid
Leucinic acid
ME327273
439960
-
-
131.072
N-Acetylputrescine
N-Acetylputrescine
ME327212
122356
-
-
131.119
Hydroxyproline
Hydroxyproline
ME327197
5810
-
-
132.067
Creatine
Creatine
ME327166
586
-
-
132.077
Ile
Isoleucine
ME327200
791
-
-
132.103
Leu
Leucine
ME327203
857
-
-
132.103
Malic acid
Malic acid
ME327328
525
-
-
133.014
Ureidoglycolic acid
Ureidoglycolic acid
ME327370
439269
-
-
133.026
Asn
Asparagine
ME327156
236
-
-
133.061
Gly-Gly
Gly-Gly
ME327190
11163
-
-
133.061
Ornithine
Ornithine
ME327225
389
-
-
133.098
Thiaproline
-
ME327244
9934
-
-
134.028
Asp
Aspartic acid
ME327157
424
-
-
134.045
Threonic acid
Threonic acid
ME327366
5460407
-
-
135.03
Adenine
Adenine
ME327148
190
-
-
136.063
Hypoxanthine
Hypoxanthine
ME327199
790
-
-
137.047
Tyramine
Tyramine
ME327254
5610
-
-
138.093
Urocanic acid
Urocanic acid
ME327259
736715
-
-
139.051
Ethanolamine phosphate
Phosphoethanolamine
ME327302
1015
-
-
140.011
1H-Imidazole-4-propionic acid
-
ME327135
10105257
-
-
141.066
1-Methyl-4-imidazoleacetic acid
Methylimidazoleacetic acid
ME327133
75810
-
-
141.066
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME327280
18189
-
-
144.065
Stachydrine
Stachydrine
ME327240
115244
-
-
144.103
γ-Butyrobetaine
3-Dehydroxycarnitine
ME327270
134
-
-
146.118
Spermidine
Spermidine
ME327238
1102
-
-
146.166
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME327274
43
-
-
147.03
Mevalonic acid
Mevalonic acid
ME327329
134965
-
-
147.065
Gln
Glutamine
ME327182
738
-
-
147.077
Lys
Lysine
ME327204
866
-
-
147.114
Glu
Glutamic acid
ME327183
611
-
-
148.061
Isoglutamic acid
Isoglutamic acid
ME327202
73064
-
-
148.061
N-Acetylserine
N-Acetylserine
ME327213
65249
-
-
148.061
Met
Methionine
ME327206
876
-
-
150.059
N6-Methyladenine
-
ME327218
67955
-
-
150.077
Triethanolamine
Triethanolamine
ME327248
7618
-
-
150.114
p-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME327352
127
-
-
151.041
Cysteinesulfinic acid
3-Sulfino-alanine
ME327296
1549098
-
-
152.004
Guanine
Guanine
ME327193
764
-
-
152.06
Xanthine
Xanthine
ME327261
1188
-
-
153.041
4-(β-Acetylaminoethyl)imidazole
N-Acetylhistamine
ME327141
69602
-
-
154.097
His
Histidine
ME327195
773
-
-
156.078
Pelargonic acid
Pelargonic acid
ME327354
8158
-
-
157.125
Allantoin
Allantoin
ME327152
204
-
-
159.052
8-Hydroxyoctanoic acid and/or 2-Hydroxyoctanoic ac...
-
ME327284
-
-
-
159.103
Daminozide, Ala-Ala
-
ME327174
-
-
-
161.093
N-Acetylcysteine
N-Acetylcysteine
ME327336
12035
-
-
162.023
Carnitine
Carnitine
ME327163
85
-
-
162.114
o-Coumaric acid and/or p-Coumaric acid
-
ME327349
-
-
-
163.04
5-Hydroxylysine
5-Hydroxylysine
ME327144
3032849
-
-
163.108
S-Methylmethionine
S-Methylmethionine
ME327234
145692
-
-
164.074
Terephthalic acid
Terephthalic acid
ME327365
7489
-
-
165.019
Quinolinic acid
Quinolinic acid
ME327358
1066
-
-
166.014
Methionine sulfoxide
Methionine sulfoxide
ME327207
158980
-
-
166.053
7-Methylguanine
7-Methylguanine
ME327147
11361
-
-
166.072
3-Methylguanine
3-Methylguanine
ME327140
76292
-
-
166.073
Phe
Phenylalanine
ME327226
994
-
-
166.087
Uric acid
Uric acid
ME327371
1175
-
-
167.021
Cysteic acid
Cysteic acid
ME327295
72886
-
-
167.998
Pyridoxamine
Pyridoxamine
ME327230
1052
-
-
169.098
Pyridoxine
Pyridoxine
ME327231
1054
-
-
170.082
1-Methylhistidine and/or 3-Methylhistidine
-
ME327134
-
-
-
170.093
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME327315
439162
-
-
171.006
Isovalerylalanine and/or N-Acetylleucine
-
ME327325
-
-
-
172.097
Formiminoglutamic acid
Formiminoglutamic acid
ME327304
439233
-
-
173.056
N-Acetylasparagine
N-Acetylasparagine
ME327334
99715
-
-
173.057
Suberic acid
Suberic acid
ME327363
10457
-
-
173.083
N-Acetylaspartic acid
N-Acetylaspartic acid
ME327335
65065
-
-
174.041
N-Carbamoylaspartic acid
N-Carbamoylaspartic acid
ME327345
93072
-
-
175.037
Allantoic acid
Allantoic acid
ME327287
203
-
-
175.046
N-Acetylornithine
N-Acetylornithine
ME327211
439232
-
-
175.108
Arg
Arginine
ME327153
6322
-
-
175.12
N-Formylmethionine
N-Formylmethionine
ME327346
439750
-
-
176.039
Diethylaminomalonic acid
Diethyl aminomalonate
ME327176
81272
-
-
176.093
Citrulline
Citrulline
ME327165
9750
-
-
176.104
Cys-Gly
Cys-Gly
ME327169
439498
-
-
179.049
Gluconolactone
Gluconolactone
ME327185
7027
-
-
179.056
Galactosamine and/or Glucosamine
-
ME327181
-
-
-
180.087
Mannosamine
2-Amino-2-deoxy-D-mannose
ME327205
440049
-
-
180.088
Homovanillic acid
Homovanillic acid
ME327319
1738
-
-
181.051
4-Pyridoxic acid
4-Pyridoxic acid
ME327282
6723
-
-
182.046
Tyr
Tyrosine
ME327252
1153
-
-
182.082
Phosphorylcholine
Choline phosphate
ME327227
1014
-
-
184.075
2-(Creatinine-3-yl)propionic acid
-
ME327139
-
-
-
186.088
N-Acetylglutamine
N-Acetylglutamine
ME327339
25561
-
-
187.073
Azelaic acid
Azelaic acid
ME327290
2266
-
-
187.098
N-Acetylglutamic acid
N-Acetylglutamic acid
ME327338
70914
-
-
188.057
N8-Acetylspermidine
N8-Acetylspermidine
ME327219
123689
-
-
188.177
N-Acetyllysine
N(2)-Acetyllysine
ME327210
92907
-
-
189.125
N6,N6,N6-Trimethyllysine
N-6-Trimethyllysine
ME327217
440120
-
-
189.161
N-Acetylmethionine
N-Acetylmethionine
ME327341
448580
-
-
190.054
Citric acid
Citric acid
ME327292
311
-
-
191.02
Isocitric acid
Isocitric acid
ME327323
1198
-
-
191.02
Quinic acid
Quinic acid
ME327357
6508
-
-
191.056
Gly-Asp
Gly-Asp
ME327189
97363
-
-
191.067
2,6-Diaminopimelic acid
2,6-Diaminopimelic acid
ME327138
439283
-
-
191.103
Glucuronic acid-1 and/or Galacturonic acid-1
-
ME327312
-
-
-
193.035
Glucuronic acid-2 and/or Galacturonic acid-2
-
ME327313
-
-
-
193.035
Galacturonic acid-3
Galacturonic acid
ME327307
439215
-
-
193.036
Gluconic acid
Gluconic acid
ME327309
10690
-
-
195.051
Tyrosine methyl ester
Methyl tyrosinate
ME327255
70652
-
-
196.098
N-Acetylhistidine
N-Acetylhistidine
ME327209
75619
-
-
198.088
Lauric acid
Lauric acid
ME327327
3893
-
-
199.171
S-Sulfocysteine
Cysteine-S-sulfate
ME327361
115015
-
-
199.969
ADMA
Dimethylarginine
ME327150
123831
-
-
203.151
Spermine
Spermine
ME327239
1103
-
-
203.224
Xanthurenic acid
Xanthurenic acid
ME327380
5699
-
-
204.031
O-Acetylcarnitine
CAR 2:0
ME327223
439756
-
-
204.124
Trp
Tryptophan
ME327251
1148
-
-
205.098
Carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME327162
123800
-
-
205.12
N-Acetylphenylalanine
N-Acetylphenylalanine
ME327344
74839
-
-
206.083
Glucaric acid
Glucaric acid
ME327308
33037
-
-
209.03
Mucic acid
Galactaric acid
ME327330
3037582
-
-
209.03
3-Indoxylsulfuric acid
Indoxyl sulfate
ME327278
10258
-
-
212.003
Desthiobiotin
Dethiobiotin
ME327299
643
-
-
213.126
O-Succinylhomoserine
o-Succinylhomoserine
ME327350
439406
-
-
218.067
Pantothenic acid
Pantothenic acid
ME327353
6613
-
-
218.104
β-Ala-Lys
-
ME327269
440638
-
-
218.151
Ethyl glucuronide
Ethyl glucuronide
ME327303
18392195
-
-
221.068
N-Acetylgalactosamine, N-Acetylmannosamine and/or ...
-
ME327208
-
-
-
222.099
2'-Deoxycytidine
Deoxycytidine
ME327136
13711
-
-
228.099
Ribose 5-phosphate
Ribose 5-phosphate
ME327359
439167
-
-
229.012
Ribulose 5-phosphate
Ribulose 5-phosphate
ME327360
439184
-
-
229.012
N1,N8-Diacetylspermidine
N1,N8-Diacetylspermidine
ME327214
389613
-
-
230.186
N2-Succinylornithine
N2-Succinylornithine
ME327216
127370
-
-
233.115
Ser-Glu
Ser-Glu
ME327237
0
-
-
235.094
Thr-Asp
Thr-Asp
ME327246
3280446
-
-
235.094
Biopterin
Biopterin
ME327160
2380
-
-
238.095
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME327146
119055
-
-
240.111
Cystine
Cystine
ME327171
595
-
-
241.033
5,6,7,8-Tetrahydrobiopterin
-
ME327142
44257
-
-
242.127
Thymidine
Thymidine
ME327247
5789
-
-
243.1
Diphenylcarbazide
-
ME327177
8789
-
-
243.124
Cytidine
Cytidine
ME327172
6175
-
-
244.095
Uridine
Uridine
ME327258
6029
-
-
245.079
N1-Acetylspermine
N1-Acetylspermine
ME327215
916
-
-
245.233
γ-Glu-Cys
gamma-Glutamylcysteine
ME327271
123938
-
-
251.071
Ascorbate 2-sulfate
-
ME327289
54676864
-
-
254.981
Dyphylline
Dyphylline
ME327178
3182
-
-
255.107
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME327192
439285
-
-
258.111
Glucose 6-phosphate
Glucose 6-phosphate
ME327311
5958
-
-
259.022
Fructose 6-phosphate
Fructose 6-phosphate
ME327305
603
-
-
259.023
myo-Inositol 1-phosphate and/or myo-Inositol 3-pho...
-
ME327331
-
-
-
259.023
myo-Inositol 2-phosphate
myo-Inositol 2-phosphate
ME327332
160886
-
-
259.024
Glucose 1-phosphate
Glucose 1-phosphate
ME327310
65533
-
-
259.025
Thiamine
Thiamine
ME327242
1130
-
-
265.112
2'-Deoxyguanosine
Deoxyguanosine
ME327137
187790
-
-
268.105
Adenosine
Adenosine
ME327149
60961
-
-
268.105
Inosine
Inosine
ME327201
6021
-
-
269.089
Glu-Glu
Glu-Glu
ME327184
439500
-
-
277.105
Xanthosine
Xanthosine
ME327379
64959
-
-
283.066
Guanosine
Guanosine
ME327194
6802
-
-
284.101
His-Glu
His-Glu
ME327196
7010583
-
-
285.12
Sedoheptulose 7-phosphate
Sedoheptulose 7-phosphate
ME327362
165007
-
-
289.033
Ophthalmic acid
Ophthalmic acid
ME327224
7018721
-
-
290.137
Argininosuccinic acid
Argininosuccinic acid
ME327155
16950
-
-
291.131
N-Acetylmuramic acid
N-Acetylmuramic acid
ME327342
5462244
-
-
292.105
N-Acetylglucosamine 1-phosphate
N-Acetyl-D-glucosamine 1-phosphate
ME327337
440272
-
-
300.049
γ-Glu-Val-Gly
Glu-Val-Gly
ME327272
0
-
-
304.151
Arg-Glu
Arg-Glu
ME327154
0
-
-
304.164
dCMP
dCMP
ME327298
13945
-
-
306.05
Glutathione (GSSG)_divalent
Oxidized glutathione
ME327187
65359
-
-
307.085
Glutathione (GSH)
Glutathione
ME327186
124886
-
-
308.093
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME327343
439197
-
-
308.099
Tyr-Glu
Tyr-Glu
ME327253
0
-
-
311.126
dTMP
dTMP
ME327301
9700
-
-
321.05
CMP
CMP
ME327293
6131
-
-
322.046
3'-CMP and/or 2'-CMP
-
ME327276
-
-
-
322.047
UMP
UMP
ME327369
6030
-
-
323.029
N-Glycolylneuraminic acid
N-Glycolylneuraminic acid
ME327347
440001
-
-
324.095
dAMP
dAMP
ME327297
12599
-
-
330.062
NMN
Nicotinamide ribotide
ME327222
14180
-
-
335.065
cGMP
3',5' cyclic GMP
ME327291
24316
-
-
344.038
Thiamine phosphate
TMP
ME327243
1131
-
-
345.08
AMP
AMP
ME327288
6083
-
-
346.056
IMP
IMP
ME327320
8582
-
-
347.04
GMP
GMP
ME327317
6804
-
-
362.052
Digalacturonic acid
Digalacturonic acid
ME327300
439694
-
-
369.068
S-Lactoylglutathione
S-Lactoylglutathione
ME327233
440018
-
-
380.116
S-Adenosylmethionine
S-Adenosylmethionine
ME327232
34755
-
-
399.145
ADP
ADP
ME327285
6022
-
-
426.023
Cysteine glutathione disulfide
S-Glutathionyl-cysteine
ME327170
10455148
-
-
427.098
ADP-ribose
ADP-ribose
ME327286
445794
-
-
558.064
UDP-glucose and/or UDP-galactose
-
ME327367
-
-
-
565.049
Trimethylamine
Trimethylamine
ME327249
1146
-
-
60.081
UDP-N-acetylgalactosamine and/or UDP-N-acetylgluco...
-
ME327368
-
-
-
606.075
Urea
Urea
ME327257
1176
-
-
61.04
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME327294
448209
-
-
613.144
Ethanolamine
Ethanolamine
ME327179
700
-
-
62.061
NAD+
NAD
ME327348
5893
-
-
662.103
Glyoxylic acid
Glyoxylic acid
ME327316
760
-
-
72.994
Propionic acid
Propionic acid
ME327355
1032
-
-
73.029
Gly
Glycine
ME327188
750
-
-
76.04
Trimethylamine N-oxide
Trimethylamine N-oxide
ME327250
1145
-
-
76.076
Pyruvic acid
Pyruvic acid
ME327356
1060
-
-
87.009
Isobutyric acid and/or Butyric acid
-
ME327322
-
-
-
87.045
Oxamic acid
Oxamic acid
ME327351
974
-
-
88.004
Lactic acid
Lactic acid
ME327326
612
-
-
89.025
Putrescine
Putrescine
ME327229
1045
-
-
89.108
Ala
Alanine
ME327151
602
-
-
90.056
Sarcosine
Sarcosine
ME327235
1088
-
-
90.056
β-Ala
beta-Alanine
ME327268
239
-
-
90.056
Glycerol
Glycerol
ME327191
753
-
-
93.055
Analysis: None (Direct infusion) UNSPECIFIED ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Kynurenic acid
Kynurenic acid
ME327457
3845
-
5.98
190.053
5-Methoxyindoleacetic acid-1
5-Methoxyindoleacetic acid
ME327403
18986
-
6.78
206.084
5-Methoxyindoleacetic acid-2
5-Methoxyindoleacetic acid
ME327404
18986
-
7.27
206.084
5-Methoxyindoleacetic acid-3
5-Methoxyindoleacetic acid
ME327405
18986
-
7.04
206.084
FA(14:3)-2
Tetradecatrienoic acid
ME327525
0
-
12.38
221.157
FA(14:3)-1
Tetradecatrienoic acid
ME327524
0
-
12.51
221.158
Myristic acid
Myristic acid
ME327566
11005
-
13.82
227.205
FA(15:0)
Pentadecylic acid
ME327526
0
-
14.07
241.22
Pentadecanoic acid
Pentadecylic acid
ME327576
13849
-
14.21
241.22
Biotin
Biotin
ME327437
171548
-
5.83
245.098
FA(16:2)
Hexadecadienoic acid
ME327527
0
-
13.52
251.203
Daidzein
Daidzein
ME327520
5281708
-
8.26
253.053
Palmitoleic acid
Palmitoleic acid
ME327575
445638
-
13.97
253.22
Palmitic acid
Palmitic acid
ME327574
985
-
14.57
255.236
Liquiritigenin-1
-
ME327462
114829
-
8.26
257.075
Liquiritigenin-2
-
ME327463
114829
-
8.01
257.083
Isoliquiritigenin
Isoliquiritigenin
ME327456
638278
-
9.26
257.085
FA(17:1)
Heptadecenoic acid
ME327528
0
-
14.34
267.232
Galangin
-
ME327540
5281616
-
10.29
269.046
Baicalein-1
-
ME327509
5281605
-
9.49
269.049
Genistein
Genistein
ME327541
5280961
-
8.93
269.049
Baicalein-2
-
ME327510
5281605
-
9.26
269.05
Formononetin
Formononetin
ME327452
5280378
-
9.48
269.082
Heptadecanoic acid-1 and/or FA(17:0)-1
-
ME327548
-
-
14.8
269.249
Heptadecanoic acid-2 and/or FA(17:0)-2
-
ME327549
-
-
14.92
269.25
Naringenin-1
Naringenin
ME327567
439246
-
8.91
271.055
Naringenin-2
Naringenin
ME327568
439246
-
8.82
271.063
Naringenin-3
Naringenin
ME327569
439246
-
8.53
271.065
Naringenin-4
Naringenin
ME327570
439246
-
9.18
271.067
Estrone
Estrone
ME327450
5870
-
10.04
271.171
Dehydroisoandrosterone
Dehydroepiandrosterone
ME327445
5881
-
10.02
271.211
β-Estradiol-1 and/or 17α-Estradiol
-
ME327498
-
-
10.31
273.19
Stearidonic acid
Stearidonic acid
ME327579
5312508
-
13.37
275.204
Linolenic acid
Octadecatrienoic acid
ME327553
5280934
-
13.75
277.22
Linoleic acid
Linoleic acid
ME327552
5280450
-
14.19
279.237
Oleic acid
Oleic acid
ME327573
445639
-
14.68
281.252
Stearic acid
Stearic acid
ME327578
5281
-
15.23
283.268
Kaempferol and/or Datiscetin
-
ME327551
-
-
9.27
285.042
Luteolin
Luteolin
ME327562
5280445
-
8.71
285.045
Glycitein
Glycitein
ME327453
5317750
-
8.21
285.08
Eriodictyol
Eriodictyol
ME327522
440735
-
7.97
287.056
Testosterone-1
Testosterone
ME327493
6013
-
10.27
289.215
Testosterone-2
Testosterone
ME327494
6013
-
9.94
289.223
FA(19:1)
Nonadecenoic acid
ME327529
0
-
14.99
295.263
Ricinoleic acid
Ricinoleic acid
ME327577
643684
-
12.48
297.248
Palmitoylethanolamide
Palmitoyl-EA
ME327473
4671
-
13.64
300.293
Sphingosine
Sphingosine
ME327488
5280335
-
11.01
300.294
Chrysoeriol
Chrysoeriol
ME327441
5280666
-
9.08
301.066
cis-5,8,11,14,17-Eicosapentaenoic acid
EPA
ME327518
446284
-
13.71
301.221
Sphinganine
Sphinganine
ME327482
91486
-
11.19
302.309
19-Hydroxyandrostenedione
-
ME327398
252379
-
8.32
303.201
Arachidonic acid
Arachidonic acid
ME327505
444899
-
14.13
303.236
Cepharanthine
-
ME327439
10206
-
6.02
304.146
19-Hydroxytestosterone-1
-
ME327399
150968
-
8.13
305.207
19-Hydroxytestosterone-2
-
ME327400
150968
-
8.4
305.212
cis-8,11,14-Eicosatrienoic acid
Dihomo-gamma-linolenic acid
ME327519
5280581
-
14.42
305.252
FA(20:3)
Eicosatrienoic acid
ME327530
0
-
14.59
305.252
cis-11,14-Eicosadienoic acid
11Z,14Z-Eicosadienoic acid
ME327515
6439848
-
14.83
307.268
cis-11-Eicosenoic acid
cis-Gondoic acid
ME327516
5282768
-
15.29
309.283
Arachidic acid
Arachidic acid
ME327504
10467
-
15.79
311.298
20α-Hydroxyprogesterone
-
ME327402
8956
-
10.91
317.251
Phytosphingosine
Phytosphingosine
ME327474
122121
-
10.92
318.305
AEA(18:3)
-
ME327432
0
-
12.87
322.275
Linoleyl ethanolamide
Linoleoyl-EA
ME327461
5283446
-
13.31
324.293
Heneicosanoic acid, 19-Methylarachidic acid
-
ME327547
-
-
16.04
325.311
Oleoyl ethanolamide and/or AEA(18:1)
-
ME327468
-
-
13.81
326.309
cis-4,7,10,13,16,19-Docosahexaenoic acid
DHA
ME327517
445580
-
14.03
327.237
Sphingosine(d20:1)
-
ME327489
0
-
11.72
328.324
Stearoyl ethanolamide
Stearoyl-EA
ME327490
27902
-
14.39
328.324
FA(22:5)-1
Docosapentaenoic acid
ME327532
0
-
14.03
329.244
FA(22:5)-3
Docosapentaenoic acid
ME327534
0
-
14.43
329.252
FA(22:5)-2
Docosapentaenoic acid
ME327533
0
-
14.25
329.253
Sphinganine(d20:0)
-
ME327483
0
-
11.89
330.334
FA(22:4)
Docosatetraenoic acid
ME327531
0
-
14.64
331.267
Ethyl arachidonate
-
ME327451
5367369
-
15.04
333.286
Erucic acid
cis-Erucic acid
ME327523
5281116
-
15.81
337.315
Behenic acid
Behenic acid
ME327511
8215
-
16.26
339.33
AC(12:1)-1
CAR 12:1
ME327413
0
-
9.56
342.268
AC(12:1)-2
CAR 12:1
ME327414
0
-
9.46
342.27
N-Acetylsphingosine-1
Cer 18:1;O2/2:0
ME327466
5497136
-
13.38
342.304
N-Acetylsphingosine-2
Cer 18:1;O2/2:0
ME327467
5497136
-
13.57
342.306
AC(12:0)-2
CAR 12:0
ME327412
0
-
9.72
344.284
AC(12:0)-1
CAR 12:0
ME327411
0
-
9.96
344.285
AEA(20:5)
-
ME327433
0
-
12.9
346.282
Cortexolone, Corticosterone and/or 21-Deoxycortiso...
-
ME327442
-
-
9.07
347.224
Tricosanoic acid
Tricosylic acid
ME327586
17085
-
16.47
353.345
AC(13:1)
CAR 13:1
ME327415
0
-
9.73
356.271
FA(24:5)
Tetracosapentaenoic acid
ME327536
0
-
14.81
357.281
18-Hydroxycorticosterone
18-Hydroxycorticosterone
ME327397
11222
-
8.11
363.218
Nervonic acid-1
Nervonic acid
ME327571
5281120
-
16.24
365.346
Nervonic acid-2
Nervonic acid
ME327572
5281120
-
16.51
365.347
7-Dehydrocholesterol-1 and/or Desmosterol
-
ME327409
-
-
15.86
367.333
7-Dehydrocholesterol-2
7-Dehydrocholesterol
ME327410
439423
-
16.11
367.339
FA(24:0)
Lignoceric acid
ME327535
0
-
16.68
367.361
AC(14:2)
CAR 14:2
ME327420
0
-
9.86
368.282
Cholesterol
Cholesterol
ME327440
5997
-
16.11
369.356
AC(14:1)-1
CAR 14:1
ME327417
0
-
10.25
370.299
AC(14:1)-2
CAR 14:1
ME327418
0
-
10.33
370.299
AC(14:1)-3
CAR 14:1
ME327419
0
-
10.17
370.301
Prostaglandin E1-1 and/or Prostaglandin D1-1
-
ME327475
-
-
10.03
372.267
Prostaglandin E1-2 and/or Prostaglandin D1-2
-
ME327476
-
-
9.81
372.267
AEA(22:6)
-
ME327434
0
-
13.27
372.296
AC(14:0)
CAR 14:0
ME327416
0
-
10.76
372.313
Lithocholic acid
Lithocholic acid
ME327554
9903
-
12.76
375.294
FA(25:3)
Pentacosatrienoic acid
ME327538
0
-
15.7
375.329
Riboflavin
Riboflavin
ME327477
493570
-
6.04
377.148
2-Arachidonoylglycerol
MG 20:4
ME327401
5282280
-
13.51
379.288
FA(25:0)
Hyenic acid
ME327537
0
-
16.88
381.377
Campesterol
Campesterol
ME327438
173183
-
16.26
383.371
AC(15:0)-1
CAR 15:0
ME327421
0
-
11.15
386.329
AC(15:0)-2
CAR 15:0
ME327422
0
-
11.01
386.331
5α-Cholestan-3-one-1
5alpha-Cholestanone
ME327406
92128
-
16.28
387.366
5α-Cholestan-3-one-2
5alpha-Cholestanone
ME327407
92128
-
16.19
387.368
5α-Cholestan-3-one-3
5alpha-Cholestanone
ME327408
92128
-
16.09
387.369
Eleutheroside B
Syringin
ME327447
5316860
-
5.73
390.179
Ursodeoxycholic acid
Ursodeoxycholic acid
ME327587
31401
-
10.9
391.288
Chenodeoxycholic acid
Chenodeoxycholic acid
ME327512
10133
-
11.82
391.289
Hyodeoxycholic acid
Hyodeoxycholic acid
ME327550
5283820
-
11.05
391.289
Deoxycholic acid
Deoxycholic acid
ME327521
222528
-
11.96
391.29
Stigmasterol-1
Stigmasterol
ME327491
5280794
-
16.28
395.371
Stigmasterol-2
Stigmasterol
ME327492
5280794
-
16.1
395.372
FA(26:0)
Cerotic acid
ME327539
0
-
17.09
395.392
AC(16:2)
CAR 16:2
ME327424
0
-
10.56
396.314
Ergocalciferol-1
Vitamin D2
ME327448
5280793
-
15.6
397.34
Ergocalciferol-2
Vitamin D2
ME327449
5280793
-
15.85
397.344
Sitosterol
Sitosterol
ME327481
222284
-
16.42
397.387
AC(16:1)
CAR 16:1
ME327423
0
-
11.01
398.331
Palmitoylcarnitine
CAR 16:0
ME327472
11953816
-
11.52
400.346
Cholic acid
Cholic acid
ME327514
221493
-
10.92
409.292
Cycloartenol-2 and/or Lanosterol-2
-
ME327444
-
-
16.37
409.383
Cycloartenol-1
-
ME327443
92110
-
16.59
409.388
Lanosterol-1
Lanosterol
ME327460
246983
-
15.98
409.393
AC(17:0)
CAR 17:0
ME327425
0
-
11.89
414.357
Diosgenin
Diosgenin
ME327446
99474
-
14.1
415.322
γ-Tocopherol
gamma-Tocopherol
ME327499
92729
-
16.12
417.375
AC(18:2)
CAR 18:2
ME327428
0
-
11.23
424.348
1-Myristoyl-glycero-3-phosphoethanolamine
-
ME327388
9547070
-
12.33
426.265
AC(18:1)
CAR 18:1
ME327427
0
-
11.69
426.362
AC(18:0)
CAR 18:0
ME327426
0
-
12.23
428.378
Apigenin 8-glucoside-1
Vitexin
ME327502
5280441
-
7.07
431.101
Apigenin 8-glucoside-2
Vitexin
ME327503
5280441
-
6.62
431.102
Hecogenin-1
Hecogenin
ME327454
91453
-
12.11
431.317
Hecogenin-2
Hecogenin
ME327455
91453
-
12.61
431.321
α-Tocopherol
alpha-Tocopherol
ME327496
14985
-
16.31
431.39
Glycolithocholic acid
Glycolithocholic acid
ME327545
115245
-
11.97
432.313
Luteolin 7-glucoside-1
-
ME327563
5280637
-
7.23
447.087
Baicalin
Baicalin
ME327436
64982
-
8.11
447.097
Luteolin 7-glucoside-2
-
ME327564
5280637
-
7.57
447.097
Luteolin 7-glucoside-3
-
ME327565
5280637
-
7.09
447.097
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME327546
12310288
-
10.17
448.306
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME327542
12544
-
11.05
448.309
Glycodeoxycholic acid
Glycodeoxycholic acid
ME327544
3035026
-
11.3
448.309
1-Palmitoyl-glycero-3-phosphoethanolamine-1 and/or...
-
ME327393
-
-
13.02
454.297
1-Palmitoyl-glycero-3-phosphoethanolamine-2 and/or...
-
ME327394
-
-
13.15
454.297
AC(20:1)
CAR 20:1
ME327430
0
-
12.34
454.391
AC(20:0)
CAR 20:0
ME327429
0
-
12.91
456.41
Glycocholic acid
Glycocholic acid
ME327543
10140
-
10.26
464.306
Cholesterol sulfate
Cholesterol sulfate
ME327513
65076
-
16.88
465.309
1-Myristoyl-glycero-3-phosphocholine-2
LPC 14:0
ME327386
460604
-
12.23
468.313
1-Myristoyl-glycero-3-phosphocholine-1
LPC 14:0
ME327385
460604
-
12.06
468.315
1-Myristoyl-glycero-3-phosphocholine-3
LPC 14:0
ME327387
460604
-
11.83
468.316
LPE(18:1)-1
LPE 18:1
ME327555
0
-
13.31
478.297
LPE(18:1)-2
LPE 18:1
ME327556
0
-
13.18
478.297
Taurolithocholic acid
Taurolithocholic acid
ME327583
439763
-
13.34
482.297
LysoPAF(16:0)
-
ME327465
0
-
13.34
482.363
LPG(16:0)-2
LPG 16:0
ME327558
0
-
15.07
483.276
LPG(16:0)-1
LPG 16:0
ME327557
0
-
15.2
483.277
AC(22:0)
CAR 22:0
ME327431
0
-
13.57
484.44
Asiatic acid-1
Asiatic acid
ME327506
119034
-
11.65
487.341
Asiatic acid-2
Asiatic acid
ME327507
119034
-
11.25
487.35
Asiatic acid-3
Asiatic acid
ME327508
119034
-
11.77
487.354
α-Tocopherol acetate
Tocopherol acetate
ME327497
86472
-
16.55
490.431
1-Palmitoyl-glycero-3-phosphocholine-1
LPC 16:0/0:0
ME327391
460602
-
12.88
496.345
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME327585
12443252
-
11.33
498.293
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME327580
387316
-
12.36
498.294
Taurodeoxycholic acid
Taurodeoxycholic acid
ME327582
92042745
-
12.68
498.294
1-Palmitoyl-glycero-3-phosphocholine-2
-
ME327392
-
-
13.03
498.351
LPG(18:1)-2
LPG 18:1
ME327560
0
-
15.32
509.291
LPG(18:1)-1
LPG 18:1
ME327559
0
-
15.21
509.292
Taurocholic acid
Taurocholic acid
ME327581
46783527
-
11.49
516.291
1-Oleoyl-glycero-3-phosphocholine-1
-
ME327389
5280634
-
13.05
522.361
1-Oleoyl-glycero-3-phosphocholine-2
-
ME327390
5280634
-
13.19
522.362
LPS(18:0)
LPS 18:0
ME327561
0
-
15.51
524.301
1-Stearoyl-glycero-3-phosphocholine-1 and/or 1-Hex...
-
ME327395
-
-
13.63
524.376
1-Stearoyl-glycero-3-phosphocholine-2
-
ME327396
-
-
13.77
525.381
PAF(17:0)-1
-
ME327470
0
-
14.13
538.392
PAF(17:0)-2
-
ME327471
0
-
14.01
538.393
Taurolithocholic acid 3-sulfate
Taurolithocholic acid sulfate
ME327584
440071
-
14.61
562.262
Ouabain
Ouabain
ME327469
439501
-
6.03
585.298
Saponarin-2
-
ME327479
441381
-
6.82
595.163
Saponarin-1
-
ME327478
441381
-
6.6
595.169
Saponarin-3
-
ME327480
441381
-
6.36
595.177
Astaxanthin
Astaxanthin
ME327435
5281224
-
14.01
597.399
LPC(24:0)
LPC 24:0
ME327464
24779481
-
15.61
608.471
Trilaurin
TG 12:0/12:0/12:0
ME327495
10851
-
17.57
656.594
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2
PE 16:0/16:0
ME327382
445468
-
16.52
692.524
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-3
PE 16:0/16:0
ME327383
445468
-
16.39
692.532
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1
PE 16:0/16:0
ME327381
445468
-
16.44
692.535
Sphingomyelin(d18:1/16:0)-2
SM 18:1;O2/16:0
ME327485
5283590
-
16.27
703.576
Sphingomyelin(d18:1/16:0)-1
SM 18:1;O2/16:0
ME327484
5283590
-
16.03
703.582
1,2-Dipalmitoyl-glycero-3-phosphoglycerol-1
PG 16:0/16:0
ME327500
446440
-
18.06
721.504
1,2-Dipalmitoyl-glycero-3-phosphoglycerol-2
PG 16:0/16:0
ME327501
446440
-
17.88
721.513
Sphingomyelin(d18:1/18:0)-2
SM 18:1;O2/18:0
ME327487
5283588
-
16.28
731.592
Sphingomyelin(d18:1/18:0)-1
SM 18:1;O2/18:0
ME327486
5283588
-
16.42
731.604
1,2-Distearoyl-glycero-3-phosphocholine
PC 18:0/18:0
ME327384
94190
-
17.06
790.632
Lactosylceramide(d18:1/24:1)-1
-
ME327458
0
-
16.92
972.735
Lactosylceramide(d18:1/24:1)-2
-
ME327459
0
-
17.05
972.74
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