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Return to study ST002858 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Picolinic acid
Picolinic acid
ME742777
-
-
0.608
124.040
L-lysine
Lysine
ME742725
-
-
0.617
147.113
Ornithine
Ornithine
ME742758
-
-
0.617
133.097
Spermidine
Spermidine
ME742760
-
-
0.638
146.165
Spermine
Spermine
ME742761
-
-
0.639
203.223
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME742752
-
-
0.640
313.035
Allantoate
Allantoic acid
ME742743
-
-
0.641
177.061
L-arginine
Arginine
ME742720
-
-
0.674
175.119
L-glutamine
Glutamine
ME742723
-
-
0.680
147.076
Choline
Choline
ME742783
-
-
0.682
104.107
L-Citrulline
Citrulline
ME742759
-
-
0.683
176.103
L-alanine
Alanine
ME742719
-
-
0.684
90.055
L-Carnitine
Carnitine
ME742785
-
-
0.684
162.113
Guanidinoacetate
Guanidoacetic acid
ME742768
-
-
0.685
118.061
Creatinine
Creatinine
ME742765
-
-
0.690
114.066
Pyridoxal
Pyridoxal
ME742745
-
-
0.690
168.065
(5-L-Glutamyl)-L-glutamine
gamma-Glutamylglutamine
ME742755
-
-
0.691
276.119
Creatine
Creatine
ME742764
-
-
0.693
132.077
L-glutamate
Glutamic acid
ME742722
-
-
0.693
148.061
5-Oxoproline
Pyroglutamic acid
ME742751
-
-
0.695
130.050
5-6-Dihydrothymine
Dihydrothymine
ME742744
-
-
0.696
129.066
Anthranilate
2-Aminobenzoic acid
ME742776
-
-
0.698
138.054
L-Adrenaline
Epinephrine
ME742779
-
-
0.698
184.095
L-asparagine
Asparagine
ME742721
-
-
0.698
133.061
Acetylcholine
Acetylcholine
ME742784
-
-
0.700
146.117
Dimethylglycine
Dimethylglycine
ME742757
-
-
0.700
104.071
IMP
IMP
ME742739
-
-
0.700
349.059
L-proline
Proline
ME742728
-
-
0.700
116.071
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME742753
-
-
0.701
219.098
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME742763
-
-
0.705
174.087
GMP
GMP
ME742734
-
-
0.705
364.064
4-Pyridoxate
4-Pyridoxic acid
ME742746
-
-
0.706
184.059
Cytidine
Cytidine
ME742737
-
-
0.706
244.093
IDP
IDP
ME742738
-
-
0.706
429.024
L-valine
Valine
ME742731
-
-
0.706
118.086
N-Acetyl-L-ornithine
N-Acetylornithine
ME742767
-
-
0.706
175.107
Guanosine
Guanosine
ME742735
-
-
0.707
284.099
Inosine
Inosine
ME742740
-
-
0.707
269.088
AC(4-DC)
-
ME742790
-
-
0.708
262.129
gamma-Glutamyl-gamma-aminobutyrate
4-(Glutamylamino) butanoate
ME742754
-
-
0.708
233.114
Guanine
Guanine
ME742736
-
-
0.708
152.055
L-Homocysteine
Homocysteine
ME742756
-
-
0.708
136.043
Xanthine
Xanthine
ME742742
-
-
0.708
153.041
AC(5-OH)
CAR 5:0;OH
ME742793
-
-
0.709
262.164
Ectoine
Ectoine
ME742781
-
-
0.709
143.082
Hypoxanthine
Hypoxanthine
ME742741
-
-
0.709
137.046
L-methionine
Methionine
ME742726
-
-
0.709
150.058
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME742766
-
-
0.710
146.081
5-6-Dihydrouracil
Dihydrouracil
ME742770
-
-
0.710
115.051
AC(3:0)
CAR 3:0
ME742787
-
-
0.710
218.138
AC(4:0)
CAR 4:0
ME742788
-
-
0.710
232.154
Adenosine
Adenosine
ME742733
-
-
0.710
268.104
L-tyrosine
Tyrosine
ME742730
-
-
0.711
182.081
Taurine
Taurine
ME742772
-
-
0.711
126.022
L-leucine/isoluecine
-
ME742724
-
-
0.712
132.102
AC(2:0)
CAR 2:0
ME742786
-
-
0.713
204.123
g-Oxalo-crotonate
4-Oxalocrotonic acid
ME742778
-
-
0.713
159.028
AMP
AMP
ME742732
-
-
0.714
348.070
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME742769
-
-
0.714
132.066
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME742762
-
-
0.715
260.053
Glutathione
Glutathione
ME742750
-
-
0.745
308.088
2-Oxoglutaramate
2-Keto-glutaramic acid
ME742749
-
-
0.763
146.045
Kynurenine
Kynurenine
ME742775
-
-
0.882
209.092
L-Methionine S-oxide
Methionine sulfoxide
ME742774
-
-
0.912
166.053
Nicotinamide
Niacinamide
ME742747
-
-
0.929
123.055
Serotonin
Serotonin
ME742780
-
-
0.937
177.102
L-phenylalanine
Phenylalanine
ME742727
-
-
1.265
166.086
L-tryptophan
Tryptophan
ME742729
-
-
1.781
205.097
AC(5:1)
CAR 5:1
ME742792
-
-
1.792
244.155
AC(4-OH)
CAR 4:0;OH
ME742789
-
-
1.801
248.148
AC(5:0)
CAR 5:0
ME742791
-
-
1.804
246.170
2S-5S-Methionine sulfoximine
(2S,5S)-Methionine sulfoximine
ME742773
-
-
1.829
181.061
AC(6:0)
CAR 6:0
ME742794
-
-
1.832
260.186
AC(8:1)
CAR 8:1
ME742796
-
-
1.863
286.202
Pantetheine
Pantetheine
ME742771
-
-
1.874
279.134
AC(8:0)
CAR 8:0
ME742795
-
-
1.885
288.217
AC(10:1)
CAR 10:1
ME742798
-
-
1.918
314.233
Bilirubin
Bilirubin
ME742811
-
-
1.929
585.272
AC(10:0)
CAR 10:0
ME742797
-
-
1.947
316.249
AC(12:1)
CAR 12:1
ME742800
-
-
1.985
342.265
Sphingosine
Sphingosine
ME742809
-
-
1.991
300.290
AC(12:0)
CAR 12:0
ME742799
-
-
2.017
344.280
AC(14:1)
CAR 14:1
ME742802
-
-
2.047
370.296
Biliverdin
Biliverdin
ME742810
-
-
2.050
583.256
AC(16:1)
CAR 16:1
ME742804
-
-
2.080
398.328
AC(14:0)
CAR 14:0
ME742801
-
-
2.086
372.310
AC(18:2)
CAR 18:2
ME742807
-
-
2.140
424.342
AC(20:4)
CAR 20:4
ME742808
-
-
2.149
448.342
AC(16:0)
CAR 16:0
ME742803
-
-
2.190
400.341
Maltotriose
Maltotriose
ME742748
-
-
2.190
505.180
AC(18:1)
CAR 18:1
ME742806
-
-
2.230
426.359
AC(18:0)
CAR 18:0
ME742805
-
-
2.414
428.374
CDP-choline
CDP-choline
ME742782
-
-
2.584
488.109
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2/3-Phospho-D-glycerate
2-Phosphoglyceric acid
ME742841
-
-
0.586
184.986
Dehydroascorbate
L-Dehydroascorbic acid
ME742860
-
-
0.606
173.009
Malate
Malic acid
ME742853
-
-
0.606
133.014
2-Oxoglutarate
2-Oxoglutaric acid
ME742850
-
-
0.607
145.014
Citrate
Citric acid
ME742849
-
-
0.608
191.020
Phosphocreatine
Phosphocreatine
ME742871
-
-
0.609
210.029
Oxaloacetate
Oxaloacetic acid
ME742854
-
-
0.613
130.999
D-Hexose-phosphate
-
ME742837
-
-
0.618
259.023
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME742855
-
-
0.620
147.030
5-Hydroxyisourate
5-Hydroxyisouric acid
ME742828
-
-
0.624
183.016
6-Hydroxykynurenic acid
6-Hydroxykynurenic acid
ME742886
-
-
0.624
204.033
S-Glutathionyl-L-cysteine
S-Glutathionyl-cysteine
ME742857
-
-
0.626
425.081
Argininosuccinate
Argininosuccinic acid
ME742864
-
-
0.627
289.116
Fumarate
Fumaric acid
ME742852
-
-
0.627
115.004
3-Sulfino-L-alanine
3-Sulfino-alanine
ME742876
-
-
0.631
152.002
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME742892
-
-
0.633
171.006
N-Acetylneuraminate
N-Acetylneuraminic acid
ME742865
-
-
0.633
308.099
Succinate
Succinic acid
ME742851
-
-
0.633
117.020
L-aspartate
Aspartic acid
ME742812
-
-
0.634
132.030
Phosphate
Phosphoric acid
ME742835
-
-
0.635
96.970
L-cysteine
Cysteine
ME742813
-
-
0.639
120.013
5-L-Glutamyl-taurine
5-L-Glutamyl-taurine
ME742861
-
-
0.644
253.049
Cys-Gly
Cys-Gly
ME742858
-
-
0.645
177.033
Thiocysteine
Thiocysteine
ME742877
-
-
0.645
151.984
(S)(+)-Allantoin
Allantoin
ME742829
-
-
0.652
157.038
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME742839
-
-
0.654
168.990
Ascorbate
Vitamin C
ME742859
-
-
0.657
175.025
NADH
NADH
ME742834
-
-
0.657
664.120
L-cystine
Cystine
ME742818
-
-
0.659
239.016
Phosphoethanolamine
Phosphoethanolamine
ME742893
-
-
0.659
140.011
N-Succinyl-L-glutamate 5-semialdehyde
-
ME742872
-
-
0.660
230.065
Uracil
Uracil
ME742826
-
-
0.662
111.020
Lactate
Lactic acid
ME742843
-
-
0.669
89.024
L-serine
Serine
ME742816
-
-
0.676
104.035
D-Fructose 1-6-bisphosphate
Fructose 1,6-bisphosphate
ME742838
-
-
0.677
338.993
Pyruvate
Pyruvic acid
ME742842
-
-
0.678
87.009
Urate
Uric acid
ME742827
-
-
0.678
167.021
Ribose/Ribulose/Arabinose/Xylose/Xylulose
-
ME742846
-
-
0.679
149.045
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione
-
ME742891
-
-
0.681
159.030
D-Glucose
Glucose
ME742836
-
-
0.682
179.056
L-threonine
Threonine
ME742817
-
-
0.682
118.051
Quinolinic acid
Quinolinic acid
ME742887
-
-
0.682
166.014
2-Aminomuconate
2-Aminomuconic acid
ME742889
-
-
0.688
156.028
N-Methylethanolamine phosphate
N-Methylethanolamine phosphate
ME742894
-
-
0.689
154.026
D-Arabitol/Xylitol/Ribitol
-
ME742848
-
-
0.690
151.061
glycine
Glycine
ME742814
-
-
0.690
74.025
Maltose/Sucrose
-
ME742844
-
-
0.691
341.109
Mannitol/Sorbitol/Glucitol/Iditol
-
ME742845
-
-
0.691
181.072
Thymidine
Thymidine
ME742824
-
-
0.691
241.082
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME742856
-
-
0.692
275.013
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME742867
-
-
0.692
606.074
L-histidine
Histidine
ME742815
-
-
0.693
154.062
D-Rhamnose
Rhamnose
ME742847
-
-
0.700
163.061
Pantothenate
Pantothenic acid
ME742873
-
-
0.701
218.103
10-Formyltetrahydrofolate
N10-Formyl-THF
ME742863
-
-
0.702
472.166
3-Sulfocatechol
3-Sulfocatechol
ME742878
-
-
0.702
188.986
dAMP
dAMP
ME742820
-
-
0.702
330.057
dCMP
dCMP
ME742823
-
-
0.703
306.055
Carnosine
Carnosine
ME742870
-
-
0.704
225.098
2',3'-Cyclic CMP
2',3' cyclic CMP
ME742830
-
-
0.705
304.039
Adenine
Adenine
ME742821
-
-
0.705
134.047
N-formyl kynurenine
N-Formyl-L-kynurenine
ME742888
-
-
0.705
235.070
FA(5:0)
Valeric acid
ME742896
-
-
0.707
101.061
NAD+
NAD
ME742833
-
-
0.709
662.098
FA(4:0)
Butyric acid
ME742895
-
-
0.715
87.045
L-Cysteate
Cysteic acid
ME742879
-
-
0.728
167.997
Glycolate
Glycolic acid
ME742868
-
-
0.729
75.009
1-3-Bisphosphoglycerate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME742840
-
-
0.741
264.953
3-Phospho-D-glyceroyl phosphate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME742918
-
-
0.741
264.953
UDP-glucose
UDP-glucose
ME742832
-
-
0.743
565.053
ATP
ATP
ME742819
-
-
0.750
505.980
CTP
CTP
ME742822
-
-
0.755
481.983
UDP
UDP
ME742825
-
-
0.775
403.000
Indole
Indole
ME742882
-
-
1.773
116.051
Indolepyruvate
Indolepyruvate
ME742884
-
-
1.774
202.051
Indole-3-acetate
Indoleacetic acid
ME742883
-
-
1.779
174.058
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME742831
-
-
1.790
247.045
Indoxyl
Indoxyl
ME742885
-
-
1.796
132.045
Hydroxyindole-acetylglycine
Hydroxyindoleacetylglycine
ME742890
-
-
1.798
247.072
Tetrahydrofolate
THF
ME742862
-
-
1.814
444.160
FA(6:0)
Caproic acid
ME742897
-
-
1.826
115.076
3-Methyldioxyindole
3-Methyldioxyindole
ME742881
-
-
1.854
162.056
FA(7:0)
Heptylic acid
ME742898
-
-
1.890
129.092
N-Glycoloyl-neuraminate
N-Glycoloylneuraminic acid
ME742866
-
-
1.910
324.094
D-4--Phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME742874
-
-
1.941
298.073
FA(8:0)
Caprylic acid
ME742899
-
-
1.953
143.108
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME742880
-
-
1.993
190.051
Homocarnosine
Homocarnosine
ME742869
-
-
2.114
239.115
FA(9:0)
Pelargonic acid
ME742900
-
-
2.180
157.123
FA(10:0)
Capric acid
ME742901
-
-
2.272
171.139
Pantetheine 4--phosphate
Pantetheine 4'-phosphate
ME742875
-
-
2.298
357.083
FA(12:0)
Lauric acid
ME742902
-
-
2.466
199.170
FA(14:1)
Tetradecenoic acid
ME742906
-
-
2.513
225.186
FA(20:5)
Eicosapentaenoic acid
ME742912
-
-
2.572
301.218
FA(18:3)
Octadecatrienoic acid
ME742910
-
-
2.620
277.218
FA(22:6)
DHA
ME742913
-
-
2.630
327.233
FA(20:4)
Arachidonic acid
ME742911
-
-
2.730
303.233
FA(14:0)
Myristic acid
ME742903
-
-
2.732
227.202
FA(22:5)
Docosapentaenoic acid
ME742915
-
-
2.757
329.249
FA(16:1)
Hexadecenoic acid
ME742907
-
-
2.785
253.217
FA(18:2)
Octadecadienoic acid
ME742909
-
-
2.862
279.233
FA(20:3)
Eicosatrienoic acid
ME742914
-
-
2.916
305.249
FA(16:0)
Palmitic acid
ME742904
-
-
3.134
255.233
FA(18:1)
Octadecenoic acid
ME742908
-
-
3.179
281.249
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME742916
-
-
3.847
378.242
FA(18:0)
Stearic acid
ME742905
-
-
3.850
283.265
Sphinganine 1-phosphate
Sphinganine 1-phosphate
ME742917
-
-
3.850
380.256
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
AcCa(2:0)
CAR 2:0
ME742922
-
-
0.181127818
204.1230355
AcCa(3:0)
CAR 3:0
ME742924
-
-
0.181623849
218.1386855
AcCa(4:0)
CAR 4:0
ME742927
-
-
0.182927542
232.1543355
AcCa(8:0)
CAR 8:0
ME742928
-
-
0.270502717
288.2169355
AcCa(10:0)
CAR 10:0
ME742926
-
-
0.314461537
316.2482355
PC(P-26:8_21:2)
PC P-26:8/21:2*
ME743009
-
-
0.63126849
908.6527685
AcCa(12:1)
CAR 12:1
ME742925
-
-
0.686190208
342.2638855
LPC(20:5)
LPC 20:5
ME742972
-
-
0.909963768
542.3241185
LPC(14:0)
LPC 14:0
ME742970
-
-
0.991798601
490.2904135
PC(P-28:8_21:2)
PC P-28:8/21:2*
ME742986
-
-
0.994881099
936.6840685
SPHP(d18:1)
-
ME743160
-
-
0.996022104
380.2560385
AcCa(16:1)
CAR 16:1
ME742923
-
-
1.0363012
398.3264855
LPC(18:3)
LPC 18:3
ME742952
-
-
1.037172903
518.3241185
LPC(16:1)
LPC 16:1
ME742953
-
-
1.102295022
494.3241185
PC(O-4:0_12:1)
PC O-4:0/12:1*
ME743033
-
-
1.111800703
494.3241185
AcCa(18:2)
CAR 18:2
ME742921
-
-
1.147341484
424.3421355
DG(7:0_11:0)
DG 7:0_11:0*
ME742935
-
-
1.158911577
395.2767965
LPC(20:4)
LPC 20:4
ME742950
-
-
1.1627366
566.3217135
LPC(22:6)
LPC 22:6
ME742967
-
-
1.193545245
568.3397685
LPC(15:0)
LPC 15:0
ME742968
-
-
1.201333489
482.3241185
PC(P-4:0_16:3)
PC P-4:0/16:3*
ME743016
-
-
1.217468706
544.3397685
LPE(22:6)
LPE 22:6
ME742973
-
-
1.230354464
526.2928185
LPC(18:2)
LPC 18:2
ME742966
-
-
1.233948307
520.3397685
PC(O-18:2)
PC O-18:2
ME743004
-
-
1.234563072
542.3217135
LPE(20:4)
LPE 20:4
ME742974
-
-
1.261335333
502.2928185
PE(P-20:3)
PE P-20:3*
ME743112
-
-
1.264487792
502.2928185
LPE(18:2)
LPE 18:2
ME742975
-
-
1.270882504
478.2928185
LPC(15:2)
LPC 15:2*
ME742961
-
-
1.27921982
478.2928185
LPC(17:1)
LPC 17:1
ME742957
-
-
1.292361762
508.3397685
AcCa(16:0)
CAR 16:0
ME742919
-
-
1.298975536
400.3421355
LPC(22:5)
LPC 22:5
ME742956
-
-
1.304063829
570.3554185
LPC(18:0)
LPC 18:0
ME742962
-
-
1.352319315
546.3530135
PC(O-20:3)
PC O-20:3
ME743005
-
-
1.361246492
546.3554185
LPC(20:3)
LPC 20:3
ME742963
-
-
1.362532844
546.3554185
PI(O-27:6_22:5)
PI O-27:6/22:5*
ME743123
-
-
1.375155815
1013.647744
AcCa(18:1)
CAR 18:1
ME742920
-
-
1.38522774
426.3577855
LPC(16:0)
LPC 16:0
ME742958
-
-
1.387538947
496.3397685
LPE(20:3)
LPE 20:3
ME742976
-
-
1.389680566
504.3084685
LPC(P-21:6)
-
ME742949
-
-
1.444634987
560.3111485
TG(P-8:0_17:0)
-
ME743162
-
-
1.44881213
469.3887515
LPC(18:1)
LPC 18:1
ME742965
-
-
1.454430268
522.3554185
LPC(22:4)
LPC 22:4
ME742947
-
-
1.47892576
572.3710685
LPE(18:1)
LPE 18:1
ME742978
-
-
1.497977573
480.3084685
LPC(15:1)
LPC 15:1
ME742960
-
-
1.500895996
480.3084685
LPC(P-16:0)
LPC P-16:0
ME742955
-
-
1.508258385
480.3448535
LPC(17:0)
LPC 17:0
ME742959
-
-
1.514796858
510.3554185
LPC(O-16:0)
LPC O-16:0
ME742964
-
-
1.516594656
482.3605035
LPC(20:2)
LPC 20:2
ME742951
-
-
1.538474601
548.3710685
LPC(P-18:0)
LPC P-18:0
ME742969
-
-
1.575219541
508.3761535
TG(18:2_15:0)
TG 18:2_15:0*
ME743163
-
-
1.624222211
593.4775665
LPC(P-21:5)
-
ME742948
-
-
1.692132734
562.3267985
PC(P-20:0)
PC P-20:0
ME743008
-
-
1.729293803
550.3867185
LPC(20:1)
LPC 20:1
ME742954
-
-
1.731079834
550.3867185
DG(9:0_9:0)
DG 9:0_9:0
ME742936
-
-
1.796388175
395.2767965
MG(16:0)
MG 16:0
ME742979
-
-
1.798578979
331.2842865
DG(O-16:0)
DG O-16:0
ME742937
-
-
1.804290321
331.2842865
LPC(O-18:0)
LPC O-18:0
ME742971
-
-
1.806362553
510.3918035
PC(O-16:0)
PC O-16:0
ME742996
-
-
1.834743846
518.3217135
DG(22:1_3:0)
DG 3:0_22:1*
ME742940
-
-
1.888058898
469.3887515
PC(O-17:0)
PC O-17:0
ME742987
-
-
2.004009586
510.3554185
LPE(16:0)
LPE 16:0
ME742977
-
-
2.005549868
454.2928185
MG(18:0)
MG 18:0
ME742980
-
-
2.059539739
359.3155865
DG(O-18:0)
DG O-18:0
ME742941
-
-
2.063286307
359.3155865
PC(O-4:0_14:0)
PC O-4:0/14:0*
ME742990
-
-
2.187808655
524.3710685
SM(d30:1)
SM 30:1;O2
ME743138
-
-
2.233536519
647.5122525
SM(d31:1)
SM 31:1;O2
ME743136
-
-
2.319206345
661.5279025
SM(d34:3)
SM 34:3;O2
ME743134
-
-
2.342467205
699.5435525
PI(34:2)
PI 34:2
ME743127
-
-
2.360996869
835.5331095
DG(P-11:0_23:2)
-
ME742943
-
-
2.361230474
599.5009815
PI(20:4_16:0)
PI 16:0_20:4
ME743126
-
-
2.36750574
876.5596585
SM(d32:1)
SM 32:1;O2
ME743152
-
-
2.413120954
675.5435525
SM(d34:4)
SM 34:4;O2
ME743141
-
-
2.413597579
697.5279025
PI(38:5)
PI 38:5
ME743124
-
-
2.417569152
902.5753085
PC(28:0)
PC 28:0
ME743026
-
-
2.426672753
678.5068335
SM(d34:2)
SM 34:2;O2
ME743140
-
-
2.454943077
701.5592025
SM(d33:1)
SM 33:1;O2
ME743144
-
-
2.496345614
689.5592025
DAP(O-14:0_O-6:0)
-
ME742934
-
-
2.503853524
447.3468865
PI(18:1_18:0)
PI 18:0_18:1
ME743131
-
-
2.506291045
887.5620045
PC(34:4)
PC 34:4
ME743039
-
-
2.506678669
754.5381335
PC(34:5)
PC 34:5
ME742995
-
-
2.507412576
752.5224835
PI(36:2)
PI 36:2
ME743129
-
-
2.507685239
880.5909585
SM(d18:2_18:1)
SM 18:2;O2/18:1
ME743137
-
-
2.508777637
727.5748525
PC(16:2_16:0)
PC 16:0_16:2
ME743051
-
-
2.516076879
730.5381335
PC(O-18:0)
PC O-18:0
ME743006
-
-
2.539912774
546.3530135
PC(37:6)
PC 37:6
ME743068
-
-
2.566095658
792.5537835
PC(36:5)
PC 36:5
ME743002
-
-
2.567629646
780.5537835
PC(34:3)
PC 34:3
ME743061
-
-
2.572217244
756.5537835
SM(d34:1)
SM 34:1;O2
ME743146
-
-
2.588285197
725.5567975
PC(18:1_17:3)
PC 17:3_18:1*
ME743064
-
-
2.591145406
768.5537835
PC(38:6)
PC 38:6
ME743058
-
-
2.609807956
806.5694335
PC(38:7)
PC 38:7
ME743000
-
-
2.610465004
804.5537835
PC(36:4)
PC 36:4
ME743109
-
-
2.615081408
782.5694335
PC(37:5)
PC 37:5
ME743017
-
-
2.616710433
794.5694335
SM(d19:1_17:1)
SM 19:1;O2/17:1
ME743151
-
-
2.619170924
729.5905025
PC(32:1)
PC 32:1
ME743094
-
-
2.625338357
732.5537835
ST(d40:1)
SHexCer 40:1;O2
ME743161
-
-
2.626765543
864.6229125
PE(P-23:7_23:7)
PE P-23:7/23:7*
ME743113
-
-
2.631937683
844.5275685
PC(19:3_19:3)
PC 19:3/19:3*
ME743057
-
-
2.632789443
828.5513785
PC(35:3)
PC 35:3
ME743029
-
-
2.637924681
770.5694335
PE(38:6)
PE 38:6
ME743116
-
-
2.642339016
764.5224835
PC(O-39:10)
PC O-39:10
ME743049
-
-
2.648385146
820.5251635
PC(31:0)
PC 31:0
ME743025
-
-
2.653753875
720.5537835
PC(O-36:5)
PC O-36:5
ME743095
-
-
2.655358089
766.5745185
PC(34:2)
PC 34:2
ME743075
-
-
2.661454568
758.5694335
PC(40:7)
PC 40:7
ME743087
-
-
2.66222384
832.5850835
PC(P-39:10)
PC P-39:10
ME743011
-
-
2.675163479
796.5275685
PC(38:5)
PC 38:5
ME743088
-
-
2.679724496
808.5850835
PC(33:1)
PC 33:1
ME743052
-
-
2.683027761
746.5694335
PC(36:3)
PC 36:3
ME743063
-
-
2.700357189
784.5850835
PC(O-16:0_22:6)
PC O-16:0/22:6
ME743066
-
-
2.714756985
792.5901685
PC(O-41:12)
PC O-41:12
ME743013
-
-
2.715993739
822.5432185
PC(37:4)
PC 37:4
ME743093
-
-
2.718110518
796.5850835
PC(O-35:7)
PC O-35:7
ME743001
-
-
2.72052173
748.5275685
PC(44:13)
PC 44:13*
ME743014
-
-
2.720580425
876.5537835
PA(O-18:2_20:4)
PA O-18:2/20:4
ME742982
-
-
2.728425617
724.5275685
SM(d36:1)
SM 36:1;O2
ME743135
-
-
2.729511113
731.6061525
PC(O-34:3)
PC O-34:3
ME743034
-
-
2.734444022
742.5745185
PA(O-18:2_22:6)
PA O-18:2/22:6
ME742981
-
-
2.734870135
748.5275685
PC(P-38:4)
PC P-38:4
ME743098
-
-
2.735126068
794.6058185
PC(13:0_19:0)
PC 13:0_19:0
ME743044
-
-
2.735875627
734.5694335
PC(P-36:4)
PC P-36:4
ME743056
-
-
2.744036738
766.5745185
PC(35:2)
PC 35:2
ME743007
-
-
2.745778787
772.5850835
PI(38:4)
PI 38:4
ME743128
-
-
2.750854629
904.5909585
PC(P-36:3)
PC P-36:3
ME743091
-
-
2.751832212
768.5901685
PC(O-38:5)
PC O-38:5
ME743037
-
-
2.752147398
794.6058185
PC(O-17:1_14:1)
PC O-17:1/14:1*
ME743038
-
-
2.755061953
724.5251635
PC(34:1)
PC 34:1
ME743079
-
-
2.755888988
760.5850835
PE(O-16:1_22:6)
PE O-16:1/22:6
ME743114
-
-
2.756305878
748.5275685
PE(O-16:1_20:4)
PE O-16:1/20:4
ME743115
-
-
2.757795751
724.5275685
PC(O-34:2)
PC O-34:2
ME743092
-
-
2.761756593
744.5901685
PC(O-18:4_18:0)
PC O-18:4/18:0*
ME743081
-
-
2.763065959
768.5901685
PC(O-36:3)
PC O-36:3
ME743062
-
-
2.764736797
770.6058185
PC(38:4)
PC 38:4
ME743069
-
-
2.770281712
810.6007335
PC(P-35:6)
PC P-35:6
ME743050
-
-
2.770766222
748.5275685
PC(27:6_13:0)
PC 13:0_27:6*
ME743089
-
-
2.771687898
856.5826785
SM(d43:7)
SM 43:7;O2
ME743155
-
-
2.776972246
817.6218025
PC(42:7)
PC 42:7
ME743028
-
-
2.780087322
860.6163835
PC(42:9)
PC 42:9
ME742991
-
-
2.780096047
856.5850835
PC(37:3)
PC 37:3
ME742989
-
-
2.785931528
798.6007335
PC(O-41:11)
PC O-41:11
ME743003
-
-
2.797900518
824.5588685
PI(O-17:3_21:4)
PI O-17:3/21:4*
ME743125
-
-
2.802702954
884.5647435
PC(36:2)
PC 36:2
ME743074
-
-
2.803874897
786.6007335
SM(d13:0_19:1)
SM 13:0;O2/19:1*
ME743149
-
-
2.816074034
675.5435525
PC(35:1)
PC 35:1
ME743065
-
-
2.824063958
774.6007335
CerPE(d20:0_15:1)
-
ME742932
-
-
2.836643093
697.5254975
PC(40:5)
PC 40:5
ME743086
-
-
2.838997972
836.6163835
PC(44:11)
PC 44:11
ME742988
-
-
2.842310224
880.5850835
PC(O-40:6)
PC O-40:6
ME743035
-
-
2.842570765
820.6214685
PI(20:4_18:0)
PI 18:0_20:4
ME743130
-
-
2.844505441
904.5909585
PC(37:2)
PC 37:2
ME743027
-
-
2.851238644
800.6163835
PC(O-20:2_14:0)
PC O-20:2/14:0
ME743020
-
-
2.855859217
744.5901685
PC(46:13)
PC 46:13*
ME743100
-
-
2.856227148
904.5850835
PC(38:3)
PC 38:3
ME743096
-
-
2.856727959
812.6163835
PC(O-15:2_23:1)
PC O-15:2/23:1*
ME743084
-
-
2.857587998
820.6190635
PC(O-34:1)
PC O-34:1
ME743071
-
-
2.865378495
746.6058185
PC(O-38:4)
PC O-38:4
ME743082
-
-
2.868369867
796.6214685
PC(40:4)
PC 40:4
ME743085
-
-
2.869207999
838.6320335
PC(O-22:1_14:1)
PC O-22:1/14:1
ME743070
-
-
2.870540517
772.6214685
PC(O-40:5)
PC O-40:5
ME743048
-
-
2.876589652
822.6371185
PC(O-33:2)
PC O-33:2
ME743032
-
-
2.878116185
752.5564635
PE(P-18:0_20:4)
PE P-18:0/20:4
ME743121
-
-
2.887139083
752.5588685
PE(O-18:1_20:4)
PE O-18:1/20:4
ME743120
-
-
2.888548793
752.5588685
PC(O-15:1_20:4)
PC O-15:1/20:4
ME743053
-
-
2.894850955
752.5588685
PC(32:2)
PC 32:2
ME743031
-
-
2.895381592
730.5381335
PA(O-20:2_20:4)
PA O-20:2/20:4
ME742985
-
-
2.904430223
752.5588685
SM(d42:3)
SM 42:3;O2
ME743148
-
-
2.909028026
811.6687525
PC(36:1)
PC 36:1
ME743104
-
-
2.917953483
810.5983285
PC(16:2_22:4)
PC 16:2_22:4*
ME743090
-
-
2.922912479
828.5513785
PC(18:2_18:3)
PC 18:2_18:3
ME743010
-
-
2.930437675
780.5537835
SM(d43:3)
SM 43:3;O2
ME743133
-
-
2.943869754
825.6844025
SM(d41:2)
SM 41:2;O2
ME743142
-
-
2.944041239
799.6687525
PC(35:4)
PC 35:4
ME743111
-
-
2.950082023
768.5537835
PC(14:0_19:2)
PC 14:0_19:2*
ME743102
-
-
2.961396983
744.5537835
SM(d36:2)
SM 36:2;O2
ME743156
-
-
2.967344204
729.5905025
PC(31:2)
PC 31:2
ME743021
-
-
2.974981117
716.5224835
PC(30:0)
PC 30:0
ME743059
-
-
2.975542374
706.5381335
PC(O-40:4)
PC O-40:4
ME743083
-
-
2.978481262
824.6527685
PC(33:4)
PC 33:4
ME742992
-
-
2.97881651
740.5224835
SM(d44:5)
SM 44:5;O2
ME743150
-
-
2.980698311
835.6687525
PC(O-44:7)
PC O-44:7
ME743036
-
-
2.981397194
874.6684185
SM(d42:2)
SM 42:2;O2
ME743157
-
-
2.983651459
813.6844025
PC(O-38:6)
PC O-38:6
ME743024
-
-
2.984338408
792.5901685
PC(22:6_16:0)
PC 16:0_22:6
ME743105
-
-
2.984380472
828.5513785
PC(O-42:6)
PC O-42:6
ME743022
-
-
2.999624348
848.6527685
PC(16:1_24:6)
PC 16:1_24:6
ME743106
-
-
3.00351433
832.5850835
PC(39:6)
PC 39:6
ME743040
-
-
3.008485338
820.5850835
PI(O-20:5_18:4)
PI O-20:5/18:4*
ME743132
-
-
3.010283607
880.5334435
PC(P-18:4_21:5)
PC P-18:4/21:5*
ME743055
-
-
3.010619999
820.5251635
SM(d43:2)
SM 43:2;O2
ME743145
-
-
3.011436615
827.7000525
PC(12:1_22:1)
PC 12:1_22:1*
ME743110
-
-
3.015940406
780.5513785
PC(O-44:6)
PC O-44:6
ME743072
-
-
3.017242996
876.6840685
SM(d35:1)
SM 35:1;O2
ME743139
-
-
3.026780343
717.5905025
PE(20:4_16:0)
PE 16:0_20:4
ME743118
-
-
3.030419018
740.5224835
DG(16:0_16:0)
DG 16:0_16:0
ME742944
-
-
3.032092412
586.5405005
SM(d41:1)
SM 41:1;O2
ME743158
-
-
3.0380352
801.6844025
PA(22:5_16:0)
PA 16:0_22:5
ME742983
-
-
3.039235751
740.5224835
PC(40:6)
PC 40:6
ME742994
-
-
3.040412589
834.6007335
DG(O-14:2_18:0)
-
ME742938
-
-
3.040808964
551.5033865
PC(O-13:1_22:6)
PC O-13:1/22:6
ME743099
-
-
3.060236496
748.5275685
PC(P-9:0_22:1)
PC P-9:0/22:1*
ME743097
-
-
3.063385254
724.5251635
PC(O-40:7)
PC O-40:7
ME743045
-
-
3.065492299
818.6058185
PC(O-46:7)
PC O-46:7
ME743019
-
-
3.067653103
902.6997185
PC(33:3)
PC 33:3
ME743054
-
-
3.067693522
742.5381335
PC(O-20:1_12:0)
PC O-20:1/12:0
ME742993
-
-
3.077374732
718.5745185
PC(P-12:1_23:5)
PC P-12:1/23:5*
ME743107
-
-
3.080225959
748.5275685
PC(32:0)
PC 32:0
ME743108
-
-
3.085807154
734.5694335
PC(18:1_17:1)
PC 17:1_18:1
ME743042
-
-
3.090586244
772.5850835
PC(O-44:5)
PC O-44:5
ME743018
-
-
3.090653276
878.6997185
PC(O-15:2_22:6)
PC O-15:2/22:6
ME743076
-
-
3.093328718
774.5432185
PC(27:5_13:1)
PC 13:1_27:5*
ME743080
-
-
3.097121773
834.6007335
PC(O-35:6)
PC O-35:6
ME743078
-
-
3.104018431
750.5432185
SM(d38:2)
SM 38:2;O2
ME743153
-
-
3.106494295
757.6218025
PE(O-18:2_20:4)
PE O-18:2/20:4
ME743119
-
-
3.111656358
750.5432185
PC(31:1)
PC 31:1
ME743073
-
-
3.119419229
718.5381335
PE(P-18:1_20:4)
PE P-18:1/20:4
ME743117
-
-
3.120191564
750.5432185
PC(O-43:13)
PC O-43:13*
ME742998
-
-
3.120746683
848.5588685
DG(16:0_18:0)
DG 16:0_18:0
ME742939
-
-
3.136441742
614.5718005
PC(42:6)
PC 42:6
ME743060
-
-
3.142354247
862.6320335
PC(39:4)
PC 39:4
ME743012
-
-
3.145617986
824.6163835
PC(O-32:0)
PC O-32:0
ME743023
-
-
3.152767708
720.5901685
PC(P-41:10)
PC P-41:10*
ME742999
-
-
3.158002045
824.5588685
PC(O-25:3_13:0)
PC O-25:3/13:0*
ME742997
-
-
3.163034553
820.6190635
PC(15:0_22:2)
PC 15:0_22:2
ME743077
-
-
3.167449126
800.6163835
PC(O-26:4_14:1)
PC O-26:4/14:1*
ME743030
-
-
3.185556112
822.6371185
PC(O-10:0_23:2)
PC O-10:0/23:2*
ME743103
-
-
3.187992576
752.5564635
PC(O-13:1_21:0)
PC O-13:1/21:0*
ME743046
-
-
3.190340369
746.6058185
PC(O-21:6_21:0)
PC O-21:6/21:0*
ME743015
-
-
3.192248522
848.6527685
PC(O-12:0_24:1)
PC O-12:0/24:1*
ME743043
-
-
3.192554442
796.6190635
PC(O-36:2)
PC O-36:2
ME743067
-
-
3.193991811
772.6214685
PE(O-18:1_18:2)
PE O-18:1/18:2
ME743122
-
-
3.197553294
728.5588685
PA(O-20:2_18:2)
PA O-20:2/18:2
ME742984
-
-
3.20003604
728.5588685
PC(42:5)
PC 42:5
ME743047
-
-
3.209797599
864.6476835
DG(18:0_18:0)
DG 18:0_18:0
ME742945
-
-
3.214471696
642.6031005
Cer(d18:1_24:0)
Cer 18:1;O2/24:0
ME742931
-
-
3.224364686
650.6445705
SM(d12:0_28:1)
SM 12:0;O2/28:1*
ME743154
-
-
3.280380428
787.6687525
PC(O-28:5_14:0)
PC O-28:5/14:0*
ME743101
-
-
3.281371453
850.6684185
DG(O-13:0_19:2)
-
ME742946
-
-
3.310304051
551.5033865
TG(O-10:0_16:0_6:0)
TG O-10:0_16:0_6:0*
ME743167
-
-
3.316422899
586.5405005
DG(18:0_16:0)
DG 16:0_18:0
ME742942
-
-
3.325722008
614.5718005
SM(d44:4)
SM 44:4;O2
ME743143
-
-
3.348231534
837.6844025
SM(d42:1)
SM 42:1;O2
ME743159
-
-
3.356999304
815.7000525
PC(O-42:4)
PC O-42:4
ME743041
-
-
3.377248834
852.6840685
Cer(d18:1_22:0)
Cer 18:1;O2/22:0
ME742929
-
-
3.378065025
622.6132705
SM(d43:1)
SM 43:1;O2
ME743147
-
-
3.390478236
829.7157025
Cer(d18:1_23:0)
Cer 18:1;O2/23:0
ME742930
-
-
3.435047227
636.6289205
TG(O-18:0_18:0)
-
ME743165
-
-
3.448245429
642.6031005
ChE(18:2)
CE 18:2
ME742933
-
-
3.550814185
666.6183555
TG(16:0_16:0_16:0)
TG 16:0/16:0/16:0
ME743166
-
-
3.570111137
824.7701655
TG(14:0_16:0_16:0)
TG 14:0_16:0_16:0
ME743164
-
-
3.67424629
796.7388655
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
PA(16:3_2:0)
PA 2:0_16:3*
ME743207
-
-
1.529398191
445.1996815
LPI(20:4)
LPI 20:4
ME743205
-
-
1.789314125
619.2888915
FA(16:3)
Hexadecatrienoic acid
ME743184
-
-
1.821795424
249.1860035
LPC(21:5)
LPC 21:5*
ME743200
-
-
1.85317961
600.3306955
PS(P-8:0_16:3)
PS P-8:0/16:3*
ME743261
-
-
1.853937039
600.3306955
LPA(20:4)
LPA 20:4
ME743193
-
-
1.8572776
457.2360665
FA(14:1)
Tetradecenoic acid
ME743171
-
-
1.863725568
225.1860035
PS(P-10:0_12:0)
PS P-10:0/12:0*
ME743260
-
-
1.950175906
578.3463455
LPC(23:6)
LPC 23:6*
ME743198
-
-
1.982580116
626.3463455
LPC(19:2)
LPC 19:2
ME743195
-
-
1.990642025
578.3463455
LPC(21:4)
LPC 21:4*
ME743203
-
-
1.999685562
602.3463455
PS(O-8:0_16:3)
PS O-8:0/16:3*
ME743259
-
-
2.002478017
602.3463455
FA(16:2)
Hexadecadienoic acid
ME743182
-
-
2.004611897
251.2016535
LPC(23:5)
LPC 23:5*
ME743194
-
-
2.050483766
628.3619955
FA(20:5)
Eicosapentaenoic acid
ME743181
-
-
2.086309088
301.2173035
FA(14:0)
Myristic acid
ME743174
-
-
2.093226415
227.2016535
LPC(21:3)
LPC 21:3*
ME743199
-
-
2.099005675
604.3619955
LPC(19:1)
LPC 19:1
ME743201
-
-
2.103125188
580.3619955
FA(18:3)
Octadecatrienoic acid
ME743191
-
-
2.110706071
277.2173035
FA(16:1)
Hexadecenoic acid
ME743172
-
-
2.16861466
253.2173035
FA(22:6)
DHA
ME743173
-
-
2.17897909
327.2329535
LPC(O-17:1)
LPC O-17:1
ME743196
-
-
2.202599207
538.3514305
FA(15:0)
Pentadecylic acid
ME743169
-
-
2.204547095
241.2173035
LPC(O-17:0)
LPC O-17:0
ME743197
-
-
2.216083272
540.3670805
FA(20:4)
Arachidonic acid
ME743190
-
-
2.239083179
303.2329535
LPE(18:0)
LPE 18:0
ME743204
-
-
2.242755215
480.3095655
FA(18:2)
Octadecadienoic acid
ME743170
-
-
2.267627448
279.2329535
FA(17:1)
Heptadecenoic acid
ME743187
-
-
2.303317976
267.2329535
FA(22:5)
Docosapentaenoic acid
ME743175
-
-
2.31234019
329.2486035
LPC(19:0)
LPC 19:0
ME743202
-
-
2.339142883
582.3776455
FA(20:3)
Eicosatrienoic acid
ME743188
-
-
2.3538485
305.2486035
FA(16:0)
Palmitic acid
ME743189
-
-
2.368933556
255.2329535
PS(P-5:0_21:4)
PS P-5:0/21:4*
ME743257
-
-
2.383052351
626.3463455
PC(O-19:2)
PC O-19:2*
ME743210
-
-
2.428266996
578.3463455
FA(22:4)
Docosatetraenoic acid
ME743186
-
-
2.443622642
331.2642535
FA(17:0)
Margaric acid
ME743180
-
-
2.478679019
269.2486035
FA(20:2)
Eicosadienoic acid
ME743176
-
-
2.496886103
307.2642535
FA(19:1)
Nonadecenoic acid
ME743178
-
-
2.525389932
295.2642535
CL(P-6:0_18:1)
-
ME743168
-
-
2.527741448
745.3698595
FA(18:0)
Stearic acid
ME743183
-
-
2.597270215
283.2642535
PC(O-19:1)
PC O-19:1
ME743238
-
-
2.597334059
580.3619955
FA(20:1)
Eicosenoic acid
ME743179
-
-
2.63246801
309.2799035
PI(16:0_18:2)
PI 16:0_18:2
ME743252
-
-
2.847107745
833.5185565
PI(16:0_20:4)
PI 16:0_20:4
ME743256
-
-
2.861959125
857.5185565
FA(18:1)
Octadecenoic acid
ME743185
-
-
2.866191944
281.2486035
PI(18:1_20:4)
PI 18:1_20:4
ME743253
-
-
2.87023811
883.5342065
PI(16:0_18:1)
PI 16:0_18:1
ME743250
-
-
2.936563636
835.5342065
SM(d35:2)
SM 35:2;O2
ME743264
-
-
2.944438462
759.5657795
PI(22:6_18:0)
PI 18:0_22:6
ME743251
-
-
2.962723546
909.5498565
FA(24:1)
Tetracosenoic acid
ME743177
-
-
2.963450981
365.3425035
PC(15:0_18:2)
PC 15:0_18:2
ME743241
-
-
2.974439458
788.5447105
PI(18:0_20:4)
PI 18:0_20:4
ME743254
-
-
2.978967346
885.5498565
PI(18:0_18:2)
PI 18:0_18:2
ME743255
-
-
2.97977886
861.5498565
PC(17:1_18:2)
PC 17:1_18:2
ME743243
-
-
3.010206728
814.5603605
PC(16:0_20:4)
PC 16:0_20:4
ME743240
-
-
3.027688544
766.5392305
PC(16:0_21:5)
PC 16:0_21:5*
ME743235
-
-
3.034702366
838.5603605
PC(17:0_20:4)
PC 17:0_20:4
ME743223
-
-
3.049960379
840.5760105
PC(16:0_18:2)
PC 16:0_18:2
ME743242
-
-
3.078418722
802.5603605
SM(d37:2)
SM 37:2;O2
ME743265
-
-
3.079465868
787.5970795
PC(16:0_23:6)
PC 16:0_23:6*
ME743227
-
-
3.082366897
864.5760105
PC(17:0_16:1)
PC 16:1_17:0
ME743237
-
-
3.09090599
790.5603605
PC(18:2_19:2)
PC 18:2_19:2*
ME743219
-
-
3.101873985
840.5760105
PE(16:0_20:4)
PE 16:0_20:4
ME743248
-
-
3.105513599
738.5079305
PC(17:0_20:3)
PC 17:0_20:3
ME743213
-
-
3.11237845
842.5916605
PC(17:0_18:2)
PC 17:0_18:2
ME743232
-
-
3.118366465
816.5760105
PC(19:1_20:4)
PC 19:1_20:4
ME743228
-
-
3.138729415
866.5916605
PC(18:0_18:2)
PC 18:0_18:2
ME743225
-
-
3.150689047
830.5916605
SM(d37:1)
SM 37:1;O2
ME743263
-
-
3.171662828
789.6127295
PC(O-14:1_20:4)
PC O-14:1/20:4
ME743211
-
-
3.184319254
722.5130155
PC(18:0_23:6)
PC 18:0_23:6*
ME743224
-
-
3.186192791
892.6073105
PC(17:0_18:1)
PC 17:0_18:1
ME743218
-
-
3.186500751
818.5916605
PC(19:0_18:2)
PC 18:2_19:0
ME743234
-
-
3.218785914
844.6073105
PE(18:0_20:4)
PE 18:0_20:4
ME743246
-
-
3.222049526
766.5392305
PC(19:0_20:3)
PC 19:0_20:3
ME743226
-
-
3.223400173
870.6229605
PC(18:0_21:4)
PC 18:0_21:4*
ME743233
-
-
3.223719947
868.6073105
PS(22:0_20:3)
PS 20:3_22:0
ME743258
-
-
3.248676059
868.6073105
SM(d39:1)
SM 39:1;O2
ME743266
-
-
3.271406392
817.6440295
PC(17:0_20:5)
PC 17:0_20:5
ME743216
-
-
3.277391234
838.5603605
PE(16:0_22:6)
PE 16:0_22:6
ME743247
-
-
3.368257818
762.5079305
PC(O-39:5)
PC O-39:5
ME743239
-
-
3.375799692
852.6123955
PA(26:5_18:1)
PA 18:1_26:5*
ME743206
-
-
3.384910121
803.5596315
PC(16:0_22:6)
PC 16:0_22:6
ME743236
-
-
3.40734029
850.5603605
PC(16:0_21:4)
PC 16:0_21:4*
ME743222
-
-
3.409642202
840.5760105
PC(19:0_22:6)
PC 19:0_22:6
ME743212
-
-
3.410593703
892.6073105
PC(19:1_18:2)
PC 18:2_19:1
ME743214
-
-
3.417971245
842.5916605
PA(29:5_20:4)
PA 20:4_29:5*
ME743208
-
-
3.428138635
867.5909315
PA(29:4_20:3)
PA 20:3_29:4*
ME743209
-
-
3.457322079
871.6222315
PE(18:1_20:4)
PE 18:1_20:4
ME743249
-
-
3.460151686
764.5235805
PC(O-17:1_20:4)
PC O-17:1/20:4
ME743220
-
-
3.460501229
824.5810955
PE(O-18:2_22:6)
PE O-18:2/22:6
ME743244
-
-
3.463726092
772.5286655
PC(18:0_20:4)
PC 18:0_20:4
ME743217
-
-
3.464867388
854.5916605
SM(d39:2)
SM 39:2;O2
ME743262
-
-
3.468580023
815.6283795
PC(16:0_18:1)
PC 16:0_18:1
ME743221
-
-
3.478964712
804.5760105
PC(O-16:2_20:4)
PC O-16:2/20:4
ME743215
-
-
3.485611817
748.5286655
PC(O-19:1_20:4)
PC O-19:1/20:4*
ME743229
-
-
3.493371014
852.6123955
FA(26:0)
Cerotic acid
ME743192
-
-
3.526938299
395.3894535
PE(O-18:1_22:6)
PE O-18:1/22:6
ME743245
-
-
3.529804806
774.5443155
PC(19:0_18:1)
PC 18:1_19:0
ME743230
-
-
3.566006203
846.6229605
PC(19:0_20:2)
PC 19:0_20:2
ME743231
-
-
3.573945428
872.6386105
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME743313
-
-
2.704
498.289
Taurocholic acid
Taurocholic acid
ME743310
-
-
2.826
514.284
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME743294
-
-
3.001
448.308
Decanoic Acid
Capric acid
ME743284
-
-
3.006
171.138
Prostaglandin E2
PGE2
ME743306
-
-
3.020
351.218
Prostaglandin F2a/11b-Prostaglandin F2a/Prostaglan...
5-iPF2alpha-VI
ME743307
-
-
3.055
353.234
Prostaglandin D2
PGD2
ME743305
-
-
3.076
351.218
Glycocholic acid
Glycocholic acid
ME743291
-
-
3.152
464.302
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME743309
-
-
3.325
498.289
13-14-dihydro-15-keto Prostaglandin D2
-
ME743270
-
-
3.337
351.218
Taurodeoxycholic acid
Taurodeoxycholic acid
ME743311
-
-
3.526
498.289
Prostaglandin A2/B2
-
ME743304
-
-
3.540
333.207
Ursodeoxycholic acid
Ursodeoxycholic acid
ME743314
-
-
3.633
391.285
Cholic acid
Cholic acid
ME743283
-
-
3.697
407.281
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME743290
-
-
3.706
448.307
Glycodeoxycholic acid
Glycodeoxycholic acid
ME743292
-
-
3.821
448.307
Taurolithocholic acid
Taurolithocholic acid
ME743312
-
-
3.882
482.295
Leukotriene B4
LTB4
ME743297
-
-
3.894
335.223
12(13)-DiHOME
12,13-DiHOME
ME743267
-
-
3.938
313.238
9(10)-DiHOME
9,10-DiHOME
ME743276
-
-
4.027
313.238
Chenodeoxycholic acid
Chenodeoxycholic acid
ME743282
-
-
4.057
391.285
Glycolithocholic acid
Glycolithocholic acid
ME743293
-
-
4.085
432.311
Deoxycholic acid
Deoxycholic acid
ME743285
-
-
4.131
391.285
15(S)-HEPE
15S-HEPE
ME743272
-
-
4.185
317.212
13-OxoODE
13-Oxo-ODE
ME743271
-
-
4.313
293.212
13(S)-HODE
13S-HODE
ME743269
-
-
4.323
295.228
15(S)-HETE
15S-HETE
ME743273
-
-
4.370
319.227
9-OxoODE
9-OxoODE
ME743278
-
-
4.371
293.213
9(S)-HODE
9S-HODE
ME743277
-
-
4.375
295.227
17(S)-HDHA
17S-HDHA
ME743274
-
-
4.428
343.228
12(S)-HETE
12S-HETE
ME743268
-
-
4.490
319.228
5(S)-HETE
5S-HETE
ME743275
-
-
4.692
319.228
Lauric Acid
Lauric acid
ME743296
-
-
4.869
199.170
Eicosapentaenoic Acid
Eicosapentaenoic acid
ME743289
-
-
5.267
301.218
a-Linolenic Acid
alpha-Linolenic acid
ME743279
-
-
5.376
277.218
Myristic Acid
Myristic acid
ME743299
-
-
5.470
227.202
Docosahexaenoic Acid
Docosahexaenoic acid
ME743287
-
-
5.521
327.233
Palmitelaidic Acid
Palmitelaidic acid
ME743301
-
-
5.601
253.217
Arachidonic Acid
Arachidonic acid
ME743281
-
-
5.615
303.233
Pentadecanoic Acid
Pentadecylic acid
ME743303
-
-
5.628
241.217
Linoleic Acid
Linoleic acid
ME743298
-
-
5.665
279.233
Docosapentaenoic Acid
Docosapentaenoic acid
ME743288
-
-
5.683
329.249
Dihomo-y-Linolenic Acid
-
ME743286
-
-
5.746
305.248
Palmitic Acid
Palmitic acid
ME743302
-
-
5.802
255.233
Oleic Acid
Oleic acid
ME743300
-
-
5.809
281.249
Heptadecanoic Acid
Margaric acid
ME743295
-
-
5.837
269.249
Stearic Acid
Stearic acid
ME743308
-
-
5.874
283.265
Arachidic Acid
Arachidic acid
ME743280
-
-
5.914
311.296
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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