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Return to study ST001668 main page
Analysis: Other POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Carnitine
Carnitine
ME389732
85
-
-
162.113
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME389680
119
-
-
104.071
3-Dehydroxycarnitine
3-Dehydroxycarnitine
ME389717
134
-
-
146.118
Adenine
Adenine
ME389712
190
-
-
136.062
Asparagine
Asparagine
ME389708
236
-
-
133.061
beta-Alanine
beta-Alanine
ME389674
239
-
-
90.055
Betaine
Betaine
ME389693
247
-
-
118.087
Choline
Choline
ME389683
305
-
-
104.107
Ornithine
Ornithine
ME389710
389
-
-
133.097
Aspartic acid
Aspartic acid
ME389711
424
-
-
134.045
1-Methyl nicotinamide
1-Methyl nicotinamide
ME389714
457
-
-
137.072
4-Guanidinobutanoic acid
4-Guanidinobutanoic acid
ME389716
500
-
-
146.093
Creatine
Creatine
ME389705
586
-
-
132.077
Creatinine
Creatinine
ME389690
588
-
-
114.067
Cysteine-S-sulfate
Cysteine-S-sulfate
ME389697
594
-
-
122.028
Cystine
Cystine
ME389776
595
-
-
241
Alanine
Alanine
ME389673
602
-
-
90.055
Glutamic acid
Glutamic acid
ME389721
611
-
-
148.061
Proline
Proline
ME389691
614
-
-
116.071
Serine
Serine
ME389684
617
-
-
106.05
Dimethylglycine
Dimethylglycine
ME389681
673
-
-
104.071
Ethanolamine
Ethanolamine
ME389669
700
-
-
62.06
Glutamine
Glutamine
ME389719
738
-
-
147.077
Glycine
Glycine
ME389670
750
-
-
76.04
Glycerol
Glycerol
ME389676
753
-
-
93.055
Guanidoacetic acid
Guanidoacetic acid
ME389692
763
-
-
118.061
Histidine
Histidine
ME389727
773
-
-
156.077
Histamine
Histamine
ME389687
774
-
-
112.087
Hypoxanthine
Hypoxanthine
ME389713
790
-
-
137.046
Isoleucine
Isoleucine
ME389707
791
-
-
132.102
Imidazolelactic acid
Imidazolelactic acid
ME389728
793
-
-
157.062
Cystathionine
Cystathionine
ME389769
834
-
-
223.1
Kynurenine
Kynurenine
ME389766
846
-
-
209.1
Leucine
Leucine
ME389706
857
-
-
132.102
Lysine
Lysine
ME389720
866
-
-
147.113
Methionine
Methionine
ME389723
876
-
-
150.059
Niacinamide
Niacinamide
ME389698
936
-
-
123.056
Nicotinic acid
Nicotinic acid
ME389699
938
-
-
124.04
Phenylalanine
Phenylalanine
ME389735
994
-
-
166.087
Choline phosphate
Choline phosphate
ME389751
1014
-
-
184.074
Putrescine
Putrescine
ME389672
1045
-
-
89.107
Pyridoxal
Pyridoxal
ME389737
1050
-
-
168.065
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME389782
1053
-
-
249.1
Sarcosine
Sarcosine
ME389675
1088
-
-
90.055
Spermidine
Spermidine
ME389718
1102
-
-
146.166
Spermine
Spermine
ME389763
1103
-
-
203.224
Taurine
Taurine
ME389700
1123
-
-
126.022
Thiamine
Thiamine
ME389786
1130
-
-
265.112
Trimethylamine N-oxide
Trimethylamine N-oxide
ME389671
1145
-
-
76.076
Tryptophan
Tryptophan
ME389765
1148
-
-
205.098
Tyrosine
Tyrosine
ME389750
1153
-
-
182.082
Uracil
Uracil
ME389688
1174
-
-
113.035
Urea
Urea
ME389668
1176
-
-
61.04
Valine
Valine
ME389694
1182
-
-
118.087
Xanthine
Xanthine
ME389724
1188
-
-
153.042
Dyphylline
Dyphylline
ME389784
3182
-
-
255.108
Metronidazole
Metronidazole
ME389740
4173
-
-
172.072
Serotonin
Serotonin
ME389745
5202
-
-
177.103
Theobromine
Theobromine
ME389749
5429
-
-
181.071
Hydroxyproline
Hydroxyproline
ME389703
5810
-
-
132.066
Inosine
Inosine
ME389788
6021
-
-
269.089
Uridine
Uridine
ME389780
6029
-
-
245.1
Cytidine
Cytidine
ME389779
6175
-
-
244.1
Threonine
Threonine
ME389695
6288
-
-
120.066
Arginine
Arginine
ME389742
6322
-
-
175.12
Guanosine
Guanosine
ME389792
6802
-
-
284.1
Gluconolactone
Gluconolactone
ME389747
7027
-
-
179.056
Diethanolamine
Diethanolamine
ME389685
8113
-
-
106.087
Citrulline
Citrulline
ME389744
9750
-
-
176.103
3-Aminobutyric acid
3-Aminobutyric acid
ME389679
10932
-
-
104.071
Gly-Gly
Gly-Gly
ME389709
11163
-
-
133.061
Deoxycytidine
Deoxycytidine
ME389771
13711
-
-
228.1
Nicotinamide ribotide
Nicotinamide ribotide
ME389799
14180
-
-
335.1
Argininosuccinic acid
Argininosuccinic acid
ME389794
16950
-
-
291.131
1-Methyladenosine
1-Methyladenosine
ME389791
27476
-
-
282.12
S-Adenosylmethionine
S-Adenosylmethionine
ME389802
34755
-
-
399.1
Adenosine
Adenosine
ME389787
60961
-
-
268.105
Homocitrulline
Homocitrulline
ME389756
65072
-
-
190.119
Oxidized glutathione
Oxidized glutathione
ME389796
65359
-
-
307.083
3-Guanidinopropanoic acid
3-Guanidinopropanoic acid
ME389704
67701
-
-
132.077
Taurocyamine
Taurocyamine
ME389736
68340
-
-
168.045
N-Acetylhistamine
N-Acetylhistamine
ME389726
69602
-
-
154.098
Isoglutamic acid
Isoglutamic acid
ME389722
73064
-
-
148.061
Glucosaminic acid
Glucosaminic acid
ME389759
73563
-
-
196.082
N-Acetylhistidine
N-Acetylhistidine
ME389760
75619
-
-
198.089
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME389715
75810
-
-
141.067
N6-Acetyllysine
N6-Acetyllysine
ME389753
92832
-
-
189.123
N(2)-Acetyllysine
N(2)-Acetyllysine
ME389754
92907
-
-
189.124
Imidazoleacetic acid
Imidazoleacetic acid
ME389701
96215
-
-
127.051
Gly-Asp
Gly-Asp
ME389757
97363
-
-
191.066
Hypotaurine
Hypotaurine
ME389686
107812
-
-
110.027
Anserine
Anserine
ME389696
112072
-
-
121.069
S-Methylglutathione
S-Methylglutathione
ME389798
115260
-
-
322.1
N8-Acetylspermidine
N8-Acetylspermidine
ME389752
123689
-
-
188.176
Dimethylarginine
Dimethylarginine
ME389761
123831
-
-
203.15
gamma-Glutamylcysteine
gamma-Glutamylcysteine
ME389783
123938
-
-
251.1
Glutathione
Glutathione
ME389797
124886
-
-
308.091
Methionine sulfoxide
Methionine sulfoxide
ME389734
158980
-
-
166.054
Saccharopine
Saccharopine
ME389790
160556
-
-
277.14
N(6)-Methyllysine
N(6)-Methyllysine
ME389730
164795
-
-
161.129
Symmetric dimethyl-arginine
Symmetric dimethylarginine
ME389762
169148
-
-
203.151
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME389801
439155
-
-
385.1
5'-Methylthioadenosine
5'-Methylthioadenosine
ME389795
439176
-
-
298.098
Carnosine
Carnosine
ME389770
439224
-
-
227.1
Pipecolic acid
Pipecolic acid
ME389702
439227
-
-
130.087
2,6-Diaminopimelic acid
2,6-Diaminopimelic acid
ME389758
439283
-
-
191.103
sn-Glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME389785
439285
-
-
258.111
N(5)-Ethyl-glutamine
N(5)-Ethyl-glutamine
ME389741
439378
-
-
175.107
N-Acetyl-beta-glucosaminylamine
N-Acetyl-beta-glucosaminylamine
ME389767
439454
-
-
221.1
Cys-Gly
Cys-Gly
ME389746
439498
-
-
179.049
Glu-Glu
Glu-Glu
ME389789
439500
-
-
277.105
CAR 2:0
CAR 2:0
ME389764
439756
-
-
204.123
CAR 4:0
CAR 4:0
ME389773
439829
-
-
232.2
Guanidinosuccinic acid
Guanidinosuccinic acid
ME389743
439918
-
-
176.067
S-Lactoylglutathione
S-Lactoylglutathione
ME389800
440018
-
-
380.1
5-Methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME389778
440055
-
-
242.1
1-Pyrroline-5-carboxylic acid
1-Pyrroline-5-carboxylic acid
ME389689
440162
-
-
114.055
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME389725
440810
-
-
153.066
5-Methyltetrahydrofolic acid
5-Methyl-THF
ME389804
444412
-
-
460.2
5-Hydroxylysine
5-Hydroxylysine
ME389733
3032849
-
-
163.107
Ergothioneine
Ergothioneine
ME389772
3037043
-
-
230.1
Thr-Asp
Thr-Asp
ME389775
3280446
-
-
235.094
N-Methylalanine
N-Methylalanine
ME389678
5288725
-
-
104.07
CAR 4:0;3Me
CAR 4:0;3Me
ME389781
6426851
-
-
246.2
Ophthalmic acid
Ophthalmic acid
ME389793
7018721
-
-
290.136
Homocarnosine
Homocarnosine
ME389777
10243361
-
-
241.1
Cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME389803
10455148
-
-
427.1
1-Aminocyclopropanecarboxylic acid Homoserine lact...
-
ME389677
-
-
-
102.055
1-Methylhistidine 3-Methylhistidine
3-Methylhistidine
ME389739
-
-
-
170.094
Aminoisobutyric acid 2-Aminobutyric acid
-
ME389682
-
-
-
104.071
Daminozide Ala-Ala
-
ME389729
-
-
-
161.092
Galactosamine Glucosamine
-
ME389748
-
-
-
180.087
Gly-Leu
Gly-Leu
ME389755
-
-
-
189.124
N-Acetyl-D-galactosamine N-Acetyl-mannosamine N-Ac...
-
ME389768
-
-
-
222.1
O-Acetyl-homoserine alpha-Aminoadipic acid
-
ME389731
-
-
-
162.077
Ser-Glu
Ser-Glu
ME389774
-
-
-
235.093
Xi-Norepinephrine 6-Hydroxydopamine
-
ME389738
-
-
-
170.081
Analysis: Other NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME389826
43
-
-
147.03
Hydrocinnamic acid
Hydrocinnamic acid
ME389828
107
-
-
149.06
Allantoic acid
Allantoic acid
ME389848
203
-
-
175.047
Citric acid
Citric acid
ME389856
311
-
-
191.02
Caprylic acid
Caprylic acid
ME389824
379
-
-
143.109
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME389809
441
-
-
103.04
Hippuric acid
Hippuric acid
ME389850
464
-
-
178.05
Malic acid
Malic acid
ME389821
525
-
-
133.014
Fructose 6-phosphate
Fructose 6-phosphate
ME389874
603
-
-
259.023
Lactic acid
Lactic acid
ME389807
612
-
-
89.025
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME389839
668
-
-
168.991
Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME389838
729
-
-
168.991
Glutaric acid
Glutaric acid
ME389820
743
-
-
131.035
Myo-inositol hexakisphosphate
Myo-inositol hexakisphosphate
ME389891
890
-
-
328.923
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME389836
1005
-
-
166.975
Phosphoethanolamine
Phosphoethanolamine
ME389823
1015
-
-
140.012
Phthalic acid
Phthalic acid
ME389833
1017
-
-
165.019
Pyrophosphate
Pyrophosphate
ME389849
1023
-
-
176.935
Pyruvic acid
Pyruvic acid
ME389805
1060
-
-
87.009
Quinolinic acid
Quinolinic acid
ME389835
1066
-
-
166.014
Succinic acid
Succinic acid
ME389814
1110
-
-
117.019
Thiamine diphosphate
Thiamine diphosphate
ME389913
1132
-
-
423.03
Uric acid
Uric acid
ME389837
1175
-
-
167.021
3-Hydroxymethylglutaric acid
3-Hydroxymethylglutaric acid
ME389831
1662
-
-
161.046
Homovanillic acid
Homovanillic acid
ME389851
1738
-
-
181.051
Capric acid
Capric acid
ME389841
2969
-
-
171.138
Lauric acid
Lauric acid
ME389864
3893
-
-
199.171
NADPH
NADPH
ME389902
5884
-
-
371.539
NADP+
NADP+
ME389937
5886
-
-
742.07
NAD+
NAD+
ME389934
5893
-
-
662.102
ATP
ATP
ME389925
5957
-
-
505.989
Glucose 6-phosphate
Glucose 6-phosphate
ME389873
5958
-
-
259.023
ADP
ADP
ME389915
6022
-
-
426.022
UMP
UMP
ME389888
6030
-
-
323.029
UDP
UDP
ME389908
6031
-
-
402.995
3',5' cyclic AMP
3',5' cyclic AMP
ME389890
6076
-
-
328.043
AMP
AMP
ME389896
6083
-
-
346.056
CMP
CMP
ME389887
6131
-
-
322.045
CDP
CDP
ME389907
6132
-
-
402.012
UTP
UTP
ME389923
6133
-
-
482.962
CTP
CTP
ME389922
6176
-
-
481.978
Quinic acid
Quinic acid
ME389857
6508
-
-
191.056
Pantothenic acid
Pantothenic acid
ME389868
6613
-
-
218.103
4-Pyridoxic acid
4-Pyridoxic acid
ME389852
6723
-
-
182.046
GMP
GMP
ME389899
6804
-
-
362.051
GTP
GTP
ME389926
6830
-
-
521.984
Phosphoribosyl pyrophosphate
Phosphoribosyl pyrophosphate
ME389905
7339
-
-
388.946
Pyroglutamic acid
Pyroglutamic acid
ME389817
7405
-
-
128.035
Terephthalic acid
Terephthalic acid
ME389834
7489
-
-
165.019
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME389816
7866
-
-
124.992
Pelargonic acid
Pelargonic acid
ME389830
8158
-
-
157.123
IMP
IMP
ME389898
8582
-
-
347.04
Caproic acid
Caproic acid
ME389812
8892
-
-
115.076
GDP
GDP
ME389917
8977
-
-
442.018
Rhein
Rhein
ME389879
10168
-
-
283.022
Gluconic acid
Gluconic acid
ME389862
10690
-
-
195.051
N-Acetylglycine
N-Acetylglycine
ME389813
10972
-
-
116.036
2-Hydroxyisobutyric acid
2-Hydroxyisobutyric acid
ME389808
11671
-
-
103.04
N-Acetylcysteine
N-Acetylcysteine
ME389832
12035
-
-
162.023
dAMP
dAMP
ME389892
12599
-
-
330.063
Cytidine 5'-diphosphocholine
CDP-choline
ME389924
13804
-
-
487.101
dCMP
dCMP
ME389884
13945
-
-
306.05
UDP-glucuronic acid
UDP-glucuronic acid
ME389930
17473
-
-
579.023
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME389825
18189
-
-
144.067
N-Acetylglutamine
N-Acetylglutamine
ME389854
25561
-
-
187.073
Glucaric acid
Glucaric acid
ME389865
33037
-
-
209.03
3'-AMP
3'-AMP
ME389897
41211
-
-
346.056
Xanthosine
Xanthosine
ME389880
64959
-
-
283.069
N-Acetylaspartic acid
N-Acetylaspartic acid
ME389846
65065
-
-
174.041
dCTP
dCTP
ME389921
65091
-
-
465.984
AICA ribonucleotide
AICAR
ME389894
65110
-
-
337.056
Glucose 1-phosphate
Glucose 1-phosphate
ME389875
65533
-
-
259.023
Phenylacetylglycine
Phenylacetylglycine
ME389858
68144
-
-
192.066
N-Acetylglutamic acid
N-Acetylglutamic acid
ME389855
70914
-
-
188.057
XMP
XMP
ME389900
73323
-
-
363.035
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME389818
76406
-
-
130.051
Coenzyme A
Coenzyme A
ME389903
87642
-
-
382.551
N-Acetylalanine
N-Acetylalanine
ME389819
88064
-
-
130.052
6-Phosphogluconic acid
6-Phosphogluconic acid
ME389878
91493
-
-
275.018
dIMP
dIMP
ME389893
91531
-
-
331.046
Propionyl-CoA
Propionyl-CoA
ME389910
92753
-
-
410.564
Glucuronic acid
Glucuronic acid
ME389860
94715
-
-
193.035
2-Hydroxyvaleric acid
2-Hydroxyvaleric acid
ME389815
98009
-
-
117.056
N-Acetylasparagine
N-Acetylasparagine
ME389845
99715
-
-
173.057
Trehalose 6-phosphate
Trehalose 6-phosphate
ME389912
122336
-
-
421.074
Erythrose 4-phosphate
Erythrose 4-phosphate
ME389863
122357
-
-
199
Ribulose 1,5-bisphosphate
Ribulose 1,5-bisphosphate
ME389886
123658
-
-
308.978
dCDP
dCDP
ME389904
150855
-
-
386.017
Sedoheptulose 7-phosphate
Sedoheptulose 7-phosphate
ME389881
165007
-
-
289.033
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME389895
172313
-
-
338.989
2,3-Diphosphoglyceric acid
2,3-Diphosphoglyceric acid
ME389877
186004
-
-
264.952
NADH
NADH
ME389935
439153
-
-
664.119
sn-Glycero-3-phosphate
sn-Glycero-3-phosphate
ME389840
439162
-
-
171.006
Ribose 5-phosphate
Ribose 5-phosphate
ME389871
439167
-
-
229.012
3-Phosphoglyceric acid
3-Phosphoglyceric acid
ME389853
439183
-
-
184.986
Ribulose 5-phosphate
Ribulose 5-phosphate
ME389870
439184
-
-
229.012
Xylulose 5-phosphate
Xylulose 5-phosphate
ME389872
439190
-
-
229.012
N-Acetyl-alpha-neuraminic acid
N-Acetylneuraminic acid
ME389885
439197
-
-
308.099
Galacturonic acid
Galacturonic acid
ME389859
439215
-
-
193.035
Formiminoglutamic acid
Formiminoglutamic acid
ME389844
439233
-
-
173.057
o-Succinylhomoserine
o-Succinylhomoserine
ME389867
439406
-
-
218.068
Digalacturonic acid
Digalacturonic acid
ME389901
439694
-
-
369.069
N-Glycolylneuraminic acid
N-Glycolylneuraminic acid
ME389889
440001
-
-
324.095
N-Acetyl-D-glucosamine 1-phosphate
N-Acetyl-D-glucosamine 1-phosphate
ME389883
440272
-
-
300.049
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME389810
440864
-
-
103.04
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME389882
440996
-
-
300.049
dTDP-glucose
dTDP-glucose
ME389928
443210
-
-
563.07
Tartaric acid
Tartaric acid
ME389827
444305
-
-
149.009
3'-Dephospho-CoA
3'-Dephospho-CoA
ME389936
444485
-
-
686.143
Acetyl-CoA
Acetyl-CoA
ME389909
444493
-
-
403.556
Fumaric acid
Fumaric acid
ME389811
444972
-
-
115.004
Octanoyl-CoA
Octanoyl-CoA
ME389918
445344
-
-
445.601
ADP-ribose
ADP-ribose
ME389927
445794
-
-
558.065
Aspartyl adenylate
Adenylsuccinic acid
ME389920
447145
-
-
462.068
Sulfotyrosine
Sulfotyrosine
ME389876
514186
-
-
260.024
cis-Aconitic acid
cis-Aconitic acid
ME389843
643757
-
-
173.008
FAD
FAD
ME389906
643975
-
-
391.571
FMN
FMN
ME389919
643976
-
-
455.098
3-Sulfino-alanine
3-Sulfino-alanine
ME389829
1549098
-
-
152.002
Isobutyryl-CoA
Isobutyryl-CoA
ME389911
3036931
-
-
417.572
Myristoleic acid
Myristoleic acid
ME389869
5281119
-
-
225.186
Threonic acid
Threonic acid
ME389822
5460407
-
-
135.03
Isobutyric acid Butyric acid
-
ME389806
6590264
-
-
87.045
Gulonic acid
Gulonic acid
ME389861
6857417
-
-
195.05
Phosphocreatine
Phosphocreatine
ME389866
9548602
-
-
210.029
3-Methylbut-2-enoyl-CoA
3-Methylbut-2-enoyl-CoA
ME389914
9549326
-
-
423.57
Vitamin C
Vitamin C
ME389847
54670067
-
-
175.025
ADP-glucose GDP-L-fucose
-
ME389931
-
-
-
588.076
GDP-D-galactose
GDP-D-galactose
ME389933
-
-
-
606.075
GDP-glucose GDP-mannose
-
ME389932
-
-
-
604.071
Isovalerylalanine N-Acetylleucine
-
ME389842
-
-
-
172.099
Succinyl-CoA Methylmalonyl-CoA
-
ME389916
-
-
-
432.559
UDP-glucose UDP-galactose
-
ME389929
-
-
-
565.048
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Palmitoyl-EA
Palmitoyl-EA
ME389941
4671
-
-
300.293
Cholesterol
Cholesterol
ME389955
5997
-
-
370.4
Testosterone
Testosterone
ME389940
6013
-
-
289.211
Androstenedione
Androstenedione
ME389939
6128
-
-
287.206
alpha-Tocopherol
alpha-Tocopherol
ME389969
14985
-
-
431.4
Stearoyl-EA
Stearoyl-EA
ME389946
27902
-
-
328.3
Estradiol-17alpha
Estradiol-17alpha
ME389938
68570
-
-
273.192
Sphinganine
Sphinganine
ME389943
91486
-
-
302.309
5alpha-Cholestanone
5alpha-Cholestanone
ME389960
92128
-
-
387.4
Testosterone acetate
Testosterone acetate
ME389949
92145
-
-
331.2
Sitosterol
Sitosterol
ME389962
222284
-
-
397.4
11-Deoxycorticosterone
11-Deoxycorticosterone
ME389948
440698
-
-
331.2
FMN
FMN
ME389958
493570
-
-
377.1
Sphingosine
Sphingosine
ME389942
5280335
-
-
300.294
PGB2
PGB2
ME389950
5280881
-
-
335.2
MG 20:4
MG 20:4
ME389959
5282280
-
-
379.3
SM 18:1;O2/16:0
SM 18:1;O2/16:0
ME389974
5283590
-
-
703.6
CAR 16:0
CAR 16:0
ME389964
11953816
-
-
400.3
17alpha-Hydroxyprogesterone
17alpha-Hydroxyprogesterone
ME389947
62386166
-
-
331.2
11-Deoxycortisol Corticosterone 21-Deoxycortisol
-
ME389953
-
-
-
347.2
5alpha-Pregnane-3,20-dione
5alpha-Pregnane-3,20-dione
ME389945
-
-
-
317.3
CAR 10:0
CAR 10:0
ME389944
-
-
-
316.3
CAR 12:0
CAR 12:0
ME389952
-
-
-
344.3
CAR 12:1
CAR 12:1
ME389951
-
-
-
342.3
CAR 14:0
CAR 14:0
ME389957
-
-
-
372.3
CAR 14:3
CAR 14:3
ME389954
-
-
-
366.3
CAR 16:1
CAR 16:1
ME389963
-
-
-
398.3
CAR 16:2
CAR 16:2
ME389961
-
-
-
396.3
CAR 17:1
CAR 17:1
ME389966
-
-
-
412.3
CAR 18:1
CAR 18:1
ME389968
-
-
-
426.4
CAR 18:2
CAR 18:2
ME389967
-
-
-
424.3
CAR 20:0
CAR 20:0
ME389972
-
-
-
456.4
CAR 20:1
CAR 20:1
ME389971
-
-
-
454.4
CAR 22:0
CAR 22:0
ME389973
-
-
-
484.4
Cycloartenol Lanosterol
-
ME389965
-
-
-
409.4
LPC 12:0
LPC 12:0
ME389970
-
-
-
440.3
PGE1 PGD1
PGE1
ME389956
-
-
-
372.3
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Palmitic acid
Palmitic acid
ME389982
985
-
-
255.2
Stearic acid
Stearic acid
ME389988
5281
-
-
283.3
Behenic acid
Behenic acid
ME389997
8215
-
-
339.3
Glycocholic acid
Glycocholic acid
ME390011
10140
-
-
464.3
Arachidic acid
Arachidic acid
ME389993
10467
-
-
311.3
Myristic acid
Myristic acid
ME389977
11005
-
-
227.205
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME390009
12544
-
-
448.3
Dehydroepiandrosterone sulfate
Dehydroepiandrosterone sulfate
ME390001
12594
-
-
367.2
Pentadecanoic acid
Pentadecylic acid
ME389978
13849
-
-
241.22
Cholesterol sulfate
Cholesterol sulfate
ME390012
65076
-
-
465.3
Glycolithocholic acid
Glycolithocholic acid
ME390006
115245
-
-
432.3
Estrone 3-glucuronide
Estrone 3-glucuronide
ME390007
115255
-
-
445.2
Asiatic acid
Asiatic acid
ME390014
119034
-
-
487.3
Cholic acid
Cholic acid
ME390005
221493
-
-
407.3
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME390016
387316
-
-
498.3
Taurolithocholic acid
Taurolithocholic acid
ME390013
439763
-
-
482.3
Arachidonic acid
Arachidonic acid
ME389989
444899
-
-
303.2
Palmitoleic acid
Palmitoleic acid
ME389981
445638
-
-
253.2
Oleic acid
Oleic acid
ME389987
445639
-
-
281.3
Glycodeoxycholic acid
Glycodeoxycholic acid
ME390010
3035026
-
-
448.3
Linoleic acid
Linoleic acid
ME389986
5280450
-
-
279.2
Octadecatrienoic acid
Octadecatrienoic acid
ME389985
5280934
-
-
277.2
cis-Erucic acid
cis-Erucic acid
ME389996
5281116
-
-
337.3
Nervonic acid
Nervonic acid
ME390000
5281120
-
-
365.3
cis-Gondoic acid
cis-Gondoic acid
ME389992
5282768
-
-
309.3
11Z,14Z-Eicosadienoic acid
11Z,14Z-Eicosadienoic acid
ME389991
6439848
-
-
307.3
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME390008
12310288
-
-
448.3
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME390015
12443252
-
-
498.3
Taurocholic acid
Taurocholic acid
ME390018
46783527
-
-
514.3
Taurodeoxycholic acid
Taurodeoxycholic acid
ME390017
92042745
-
-
498.3
Docosatetraenoic acid
Docosatetraenoic acid
ME389994
-
-
-
331.3
Docosatrienoic acid
Docosatrienoic acid
ME389995
-
-
-
333.3
Eicosatrienoic acid
Eicosatrienoic acid
ME389990
-
-
-
305.3
Heptadecatrienoic acid
Heptadecatrienoic acid
ME389983
-
-
-
263.2
Heptadecenoic acid
Heptadecenoic acid
ME389984
-
-
-
267.2
Hexadecatrienoic acid
Hexadecatrienoic acid
ME389980
-
-
-
249.2
Hyenic acid
Hyenic acid
ME390004
-
-
-
381.4
Lauric acid
Lauric acid
ME389975
-
-
-
199.172
Lignoceric acid
Lignoceric acid
ME390002
-
-
-
367.4
LPA 14:0
LPA 14:0
ME390003
-
-
-
381.2
Pentadecylic acid
Pentadecylic acid
ME389979
-
-
-
241.2
Tetracosapentaenoic acid
Tetracosapentaenoic acid
ME389998
-
-
-
357.3
Tetracosatetraenoic acid
Tetracosatetraenoic acid
ME389999
-
-
-
359.3
Tetradecatrienoic acid
Tetradecatrienoic acid
ME389976
-
-
-
221.159
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