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Return to study ST000241 main page
Analysis: FT-ICR-MS Positive ion mode (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,11-Undecanedicarboxylic acid
Tridecanedioic acid
ME699550
10458
-
14.72
245.1774
11'-Carboxy-alpha-tocotrienol
-
ME699647
53481452
-
20.24
414.2727
11-Hydroxyeicosatetraenoate glyceryl ester
-
ME699632
53481455
-
26.44
395.2779
12(13)Ep-9-KODE
9-oxo-12(13)-EpOME
ME699579
5283007
-
14.61
311.2216
1,25-Dihydroxyvitamin D3-26,23-lactone
-
ME699665
6438368
-
3.2
445.2908
12-Ketodeoxycholic acid
12-Ketolithocholic acid
ME699631
3080612
-
25.46
391.2843
13,14-Dihydro-15-oxo-lipoxin A4
-
ME699608
53481470
-
15.41
352.2239
13,14-Dihydro- lipoxin A4
-
ME699610
53481469
-
14.53
354.2452
13'-carboxy-alpha-tocotrienol
-
ME699673
53481462
-
25.08
454.3069
13'-Carboxy-gama-tocopherol
-
ME699667
53481463
-
14.84
446.342
13'-carboxy-gama-tocotrienol
-
ME699660
53481464
-
24.84
440.2931
13'-hydroxy-alpha-tocotrienol
-
ME699663
53481466
-
14.88
441.3358
13-OxoODE
13-Oxo-ODE
ME699567
6446027
C14765
14.4
295.2293
16b-Hydroxystanozolol
16beta-Hydroxystanozolol
ME699604
14299609
-
25.47
345.2516
16-hydroxy hexadecanoic acid
Juniperic acid
ME699558
7058075
C18218
51.22
272.2352
19-Hydroxy-PGE2
19R-Hydroxy-PGE2
ME699618
5283038
-
8.75
369.2262
1D-Myo-inositol 1,4-bisphosphate
Inositol 1,4-bisphosphate
ME699602
-
C01220
29.7
341.0086
24,25-Dihydroxyvitamin D
24,25-Dihydroxyvitamin D3
ME699650
12895043
-
15.19
417.3381
24-Hydroxycholesterol
24S-Hydroxycholesterol
ME699641
121948
C13550
28.14
403.3594
2,6 dimethylheptanoyl carnitine
CAR 7:0;2Me,6Me
ME699572
53477823
-
25.07
302.2353
2-Arachidonylglycerol
MG 20:4
ME699624
5282280
C13856
27.62
379.2852
2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone
2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone
ME699713
5280827
C05804
28.49
561.4331
2-Hexaprenyl-6-methoxy-1,4-benzoquinol
-
ME699708
53481383
-
20.85
549.4262
2-Hydroxylauroylcarnitine
CAR 12:0;OH
ME699615
53481640
-
27.69
360.2754
2-Hydroxymyristic acid
2-Hydroxymyristic acid
ME699551
1563
-
22.05
245.2121
2-Phosphoglyceric acid
2-Phosphoglyceric acid
ME699539
59
-
29.91
187.0001
2-trans,4-cis-Decadienoylcarnitine
-
ME699581
53481669
-
16.99
312.2131
3a,20b-Pregnediol
-
ME699589
120059
-
26.56
321.2795
3b-Allotetrahydrocortisol
3beta-Allotetrahydrocortisol
ME699617
12444612
-
14.56
367.2474
3D,7D,11D-Phytanic acid
Phytanic acid
ME699582
10380830
-
25.22
313.3122
3-Hydroxy-5, 8-tetradecadiencarnitine
-
ME699627
53481683
-
25.35
384.2706
3-Hydroxy-cis-5-tetradecenoylcarnitine
CAR 14:1;OH
ME699629
53481679
-
27.85
386.2913
3-Hydroxyhexdecanedioyl-CoA
-
ME699883
53481644
-
8.52
1052.3263
3-Methylcrotonyl-CoA
3-Methylbut-2-enoyl-CoA
ME699836
439869
C03069
28.72
850.1687
3-O-Sulfogalactosylceramide (d18:1/24:1(15Z))
SHexCer 18:1;O2/24:1
ME699854
24779587
C06125
22.94
890.6409
3-Oxo-4,6-choladienoic acid
3-Oxo-4,6-choladienoic acid
ME699619
5283992
-
25.24
371.2627
3-Oxododecanoyl-CoA
3-Oxolauroyl-CoA
ME699874
440604
C05263
8.32
964.2745
4,4-Dimethyl-14alpha-hydroxymethyl-5alpha-cholesta...
-
ME699666
25201302
-
28.83
445.4094
4,4-Dimethylcholesta-8,14,24-trienol
4,4-Dimethylcholesta-8,11,24-trienol
ME699646
443212
C11455
19.47
411.365
4Alpha-hydroxymethyl-5alpha-cholesta-8,24-dien-3be...
4alpha-Hydroxymethyl-5alpha-cholesta-8,24-dien-3beta-ol
ME699648
25202625
-
25.66
414.3499
4Alpha-hydroxymethyl-5alpha-cholesta-8-en-3beta-ol
4alpha-Hydroxymethyl-5alpha-cholesta-8-en-3beta-ol
ME699649
25201885
-
28.14
416.3673
4-oxo-Retinoic acid
4-Oxo-retinoic acid
ME699585
6437063
C16678
13.7
315.1961
4-Phosphopantothenoylcysteine
-
ME699640
440304
C04352
30.05
403.0912
5,6-Dihydroxyprostaglandin F1a
PGF1alpha
ME699630
6439819
C06475
27.06
389.2553
5a-Cholesta-8,24-dien-3-one
-
ME699626
22833560
-
18.32
383.3328
5a-Cholestane-3a,7a,12a,25-tetrol
-
ME699658
53477702
-
27.42
437.3611
5b-Cholestane-3a,7a,12a,23R,25-pentol
-
ME699671
21252249
-
15.38
453.3582
5-b-Cholestane-3a ,7a ,12a-triol
-
ME699651
160520
C05454
28.24
421.3646
5b-Pregnediol
-
ME699566
12547
-
27.66
289.2895
5-Taurinomethyl-2-thiouridine
-
ME699635
53481004
-
30.07
398.0719
6,7-Dimethyl-8-(1-D-ribityl)lumazine
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME699592
672
C04332
27.63
327.1345
6-Hydroxy flavin adenine dinucleotide
-
ME699798
-
-
9.95
802.1636
7,7',8,8',11,11',12,12'-Hexahydro-y,y-Carotene
-
ME699703
6436722
C05414
25.12
543.4887
7a,12a-Dihydroxy-3-oxo-4-cholenoic acid
-
ME699643
5283996
C15568
24.25
405.2618
7'-carboxy-gama-tocotrienol
-
ME699596
53481532
-
15.23
332.2023
7-Dehydrocholesterol
7-Dehydrocholesterol
ME699628
439423
C01164
18.63
385.3488
7-Ketocholesterol
7-Oxo-cholesterol
ME699639
91474
-
19.9
401.3445
7-Ketodeoxycholic acid
7-Ketodeoxycholic acid
ME699644
188292
C04643
25.72
407.2777
8,11,14-Eicosatrienoic acid
Dihomo-gamma-linolenic acid
ME699574
5280581
C03242
17.72
307.2641
8-iso-15-keto-PGE2
8-iso-15-keto-PGE2
ME699607
53477750
-
12.42
351.2154
9'-Carboxy-gama-chromanol
-
ME699622
53481536
-
9.39
376.2608
9'-carboxy-gama-tocotrienol
-
ME699620
53481537
-
15.41
372.2351
9-Decenoylcarnitine
CAR 10:1(9)
ME699583
53481651
-
23.57
314.2287
Acetylphosphate
Acetylphosphate
ME699529
186
C00227
27.16
140.9987
Adenosine
Adenosine
ME699557
60961
C00212
8.65
268.1093
Adenosine tetraphosphate
Adenosine tetraphosphate
ME699725
14003
C03483
28.31
587.9667
Adenosylcobimide-GDP
-
ME699896
-
C06510
28.68
1665.6048
Aerobactin
Aerobactin
ME699715
123762
C05554
10.32
565.2389
Alpha-CEHC
alpha-CEHC
ME699561
9943542
-
13.91
279.1591
Aminopterin
4-Aminofolic acid
ME699662
2154
D02527
29.46
441.1661
Angiotensin III
Angiotensin III
ME699863
3082042
C15848
29.09
931.5134
Behenic acid
Behenic acid
ME699603
8215
C08281
29.73
341.3426
Beta-Cryptoxanthin
Cryptoxanthin
ME699710
23724629
C15981
16.08
553.4369
Brompheniramine
Brompheniramine
ME699587
6834
C06857
12.59
319.0792
Capryloylcholine
Capryloylcholine
ME699546
22155836
-
28.24
231.2179
CE(14:0)
CE 14:0
ME699731
99486
-
26.59
597.5579
CE(14:1(9Z))
CE 14:1
ME699729
24779601
-
26.02
595.541
CE(18:3(6Z,9Z,12Z))
CE 18:3(6Z,9Z,12Z)
ME699742
53480458
-
24.78
647.574
CE(20:4(5Z,8Z,11Z,14Z)
CE 20:4
ME699752
6479222
C02530
26.8
673.5897
CE(20:5(5Z,8Z,11Z,14Z,17Z)
CE 20:5
ME699750
53477889
C02530
22.9
671.5738
CE(22:6(4Z,7Z,10Z,13Z,16Z,19Z))
CE 22:6
ME699759
14274978
C02530
22.89
697.5948
CE(5:0)
CE 5:0
ME699681
111329
C02530
27.78
471.4182
Celastrol
Celastrol
ME699669
122724
-
23.78
451.2864
Ceramide (d18:1/9Z-18:1)
Cer 18:1;O2/18:1
ME699714
5283563
C00195
8.97
564.5322
Cer(d18:0/24:0)
Cer 18:0;O2/24:0
ME699745
5283577
-
27.71
652.6652
Cer(d18:1/22:1(13Z))
Cer 18:1;O2/22:1(13Z)
ME699733
53481052
-
8.45
620.597
Cervonoyl ethanolamide
Dihomo-gamma-linolenoyl-EA
ME699621
53245830
C13828
26.67
373.2789
Chitosan
Chitosan
ME699894
71853
C00734
25.68
1526.6457
Cholesterol sulfate
Cholesterol sulfate
ME699679
65076
C18043
20.02
467.318
Cholesteryl acetate
Cholesteryl acetate
ME699655
6427285
C02530
28.09
429.375
Cholic acid glucuronide
Cholic acid glucuronide
ME699723
21252309
C03033
10.73
585.3294
CL(20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z))
CL 20:1(11Z)/18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)
ME699893
53480388
-
24.22
1484.0546
CL(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,...
CL 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)
ME699895
53480446
-
8.67
1545.9843
Cotinineglucuronide
-
ME699609
3398121
-
15.27
353.1318
Cysteineglutathione disulfide
S-Glutathionyl-cysteine
ME699653
3080690
-
30.26
427.0919
Cysteinylglycine
Cys-Gly
ME699537
439498
C01419
29.47
179.0517
Delphinidin
Delphinidin
ME699599
68245
C05908
30.52
339.0297
Dextrorphan O-glucuronide
Dextrorphan O-glucuronide
ME699657
24883428
-
29
434.2139
DG(14:0/15:0/0:0)
DG 14:0/15:0/0:0
ME699697
53477949
-
23.2
527.4721
DG(14:0/18:1(11Z)/0:0)
DG 14:0/18:1(11Z)/0:0
ME699716
53477952
-
25.12
567.5008
DG(14:0/20:2(11Z,14Z)/0:0)
DG 14:0/20:2(11Z,14Z)/0:0
ME699728
53477957
-
29.77
593.5179
DG(14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
DG 14:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0
ME699732
53477967
-
16.07
615.494
DG(14:1(9Z)/14:1(9Z)/0:0)
DG 14:1(9Z)/14:1(9Z)/0:0
ME699693
53477973
-
15.14
509.4205
DG(14:1(9Z)/16:1(9Z)/0:0)
DG 14:1(9Z)/16:1(9Z)/0:0
ME699699
53477976
-
26.47
537.4531
DG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
DG 14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0
ME699724
53477991
-
18.41
585.4523
DG(15:0/16:0/0:0)
DG 15:0/16:0/0:0
ME699712
14275229
-
9.38
555.5019
DG(15:0/22:1(13Z)/0:0)
DG 15:0/22:1(13Z)/0:0
ME699737
53478016
-
25.54
637.573
DG(15:0/24:0/0:0)
DG 15:0/24:0/0:0
ME699748
53478022
-
27.03
667.6194
DG(15:0/24:1(15Z)/0:0)
DG 15:0/24:1(15Z)/0:0
ME699747
53478023
-
26.42
665.6048
DG(16:0/22:4(7Z,10Z,13Z,16Z)/0:0)
DG 16:0/22:4(7Z,10Z,13Z,16Z)/0:0
ME699740
9543803
-
27.02
645.5493
DG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
DG 16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0
ME699738
9543839
-
25.02
639.5032
DG(18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
DG 18:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0
ME699749
53478054
-
26.31
671.5627
DG(18:1(11Z)/22:2(13Z,16Z)/0:0)
DG 18:1(11Z)/22:2(13Z,16Z)/0:0
ME699755
53478079
-
26.79
675.5968
DG(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
DG 18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0
ME699736
53478130
-
20.7
637.4813
DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
DG 22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0
ME699770
9543967
-
28.17
721.5753
DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:...
DG 22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0
ME699769
53478454
-
26.54
719.5569
DG(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z...
DG 22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0
ME699767
9543969
-
26.17
717.5431
Dihomo-gamma-Linolenoyl ethanolamide
Dihomo-gamma-linolenoyl-EA
ME699606
5282272
C13828
25.41
350.3048
Dihydrofolic acid
Dihydrofolic acid
ME699664
98792
C00415
31.61
444.1629
Dihydrothymine
Dihydrothymine
ME699525
93556
C00906
12.68
129.0682
Dihydroxyacetone Phosphate Acyl Ester
Dihydroxyacetone Phosphate Acyl Ester
ME699542
6857386
C03372
29.86
199.0047
Dimethylarsinous acid
-
ME699524
185792
C20300
29.5
122.9808
Disialyllacto-N-tetraose
-
ME699890
3085216
-
29.77
1290.4465
D-Limonene
Limonene
ME699528
439250
C00521
28.75
137.1377
Docosamide
Docosanamide
ME699601
76468
-
29.77
340.3587
Dolichyl beta-D-mannosyl phosphate
-
ME699891
53481390
-
23.16
1352.0517
D-Urobilin
D-Urobilin
ME699726
6276321
C05795
16.08
589.3053
Eicosenoic acid
Eicosenoic acid
ME699580
5282768
C16526
28.74
311.2925
Endomorphin-2
Endomorphin-2
ME699718
5311081
-
28.51
572.2873
Erucic acid
cis-Erucic acid
ME699600
5281116
C08316
29.56
339.3284
Estriol 3-sulfate 16-glucuronide
-
ME699705
151223
C03033
25.61
545.1721
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME699591
172313
C00354
30.04
325.0116
Gabapentin
Gabapentin
ME699535
3446
-
14.74
172.1295
Galabiosylceramide (d18:1/26:0)
-
ME699881
20057280
C06126
26.8
1002.7796
Galactosylceramide (d18:1/14:0)
GalCer 18:1;O2/14:0
ME699751
53481406
C02686
26.28
672.5465
Gamma-Aminobutyryl-lysine
gamma-Aminobutyryl-lysine
ME699547
23208897
-
24.36
232.165
Gamma-Glutamylcysteine
gamma-Glutamylcysteine
ME699552
123938
C00669
29.82
251.0724
Gamma-linolenyl carnitine
gamma-Linolenyl carnitine
ME699652
53477819
-
51.67
422.328
Ganglioside GM3 (d18:0/16:0)
-
ME699886
53481191
-
8.92
1155.7348
Ganglioside GM3 (d18:0/24:0)
-
ME699888
53481199
-
25.97
1267.863
Ganglioside GM3 (d18:0/25:0)
-
ME699889
53481201
-
25.6
1281.8791
Ganglioside GM3 (d18:1/23:0)
-
ME699887
53481207
-
24.95
1251.8349
Ganglioside GT3 (d18:1/16:0)
GT3 18:1;O2/16:0
ME699897
53481345
-
28.53
1735.9082
Ganglioside GT3 (d18:1/18:1(11Z))
-
ME699898
53481347
-
29.09
1761.9315
Geranylgeranyl-PP
Geranylgeranyl diphosphate
ME699668
447277
C00353
29.63
451.2037
Gestrinone
Gestrinone
ME699577
27812
-
16.39
309.1832
Glucosylceramide (d18:1/12:0)
GlcCer 18:1;O2/12:0
ME699739
20057354
C01190
25.75
644.5133
Glucosylceramide (d18:1/26:0)
GlcCer 18:1;O2/26:0
ME699828
20057359
C01190
9.85
840.7336
Glucosylsphingosine
Psychosine
ME699674
9547206
C03108
18.3
462.3402
Glycocholic acid
Glycocholic acid
ME699677
10140
C01921
20.03
466.3152
Heptanoic acid
Heptylic acid
ME699526
8094
C17714
23.21
131.1097
Hexacosanoic acid
Cerotic acid
ME699634
10469
-
29.79
397.4017
Hexacosanoyl carnitine
CAR 26:0
ME699701
53477828
-
23.67
540.495
Hexadecanedioic acid
Hexadecanedioic acid
ME699564
10459
C19615
14.94
287.2178
Homophytanic acid
Homophytanic acid
ME699593
3080668
-
29.67
327.3314
Homoveratric acid
Homoveratric acid
ME699541
7139
-
27.77
197.08
Hypogeic acid
7Z-Hexadecenoic acid
ME699554
5318393
-
22.8
255.2342
Indoleacetyl glutamine
Indoleacetyl glutamine
ME699573
25200879
-
51.76
304.1335
Inositol 1,3,4,5,6-pentakisphosphate
Inositol 1,3,4,5,6-pentakisphosphate
ME699722
-
C01284
28.51
580.8992
Iodotyrosine
Iodotyrosine
ME699575
439744
C02515
28.69
307.9821
Kinetensin 4-7
-
ME699719
53481567
-
28.92
573.3035
Kyotorphin
Tyr-Arg
ME699598
123804
C02993
28.36
338.1847
Lactyl-CoA
Lactyl-CoA
ME699826
3081970
C00827
18.52
840.1404
L-Aspartyl-4-phosphate
4-Phospho-aspartic acid
ME699543
832
C03082
26.15
214.0091
Leukotriene A4
LTA4
ME699588
5280383
C00909
14.71
319.2274
Leukotriene F4
LTF4
ME699717
5280938
C06462
28.39
569.2864
Linoleoyl ethanolamide
Linoleoyl-EA
ME699590
5283446
-
26.69
324.2874
L(-)-Nicotine pestal
Nicotine
ME699532
89594
C00745
14.76
163.1281
L-Octanoylcarnitine
CAR 8:0
ME699565
11953814
C02838
24.61
288.2195
LPA(0:0/16:0)
LPA 0:0/16:0
ME699645
53478599
C00416
15.59
411.2534
LPA(0:0/18:0)
LPA 0:0/18:0
ME699659
53478600
C00416
24.32
439.286
L-Palmitoylcarnitine
CAR 16:0
ME699638
11953816
C02990
19.36
400.345
L-Urobilinogen
L-Urobilinogen
ME699730
440783
C05789
12.62
597.3656
LysoPC(14:0)
LPC 14:0
ME699680
460604
C04230
16.95
468.3117
LysoPC(14:1(9Z))
LPC 14:1(9Z)
ME699676
24779456
C04230
16.99
466.2977
LysoPC(15:0)
LPC 15:0
ME699686
24779458
C04230
19.39
482.3287
LysoPC(16:0)
LPC 16:0
ME699688
460602
C04230
19.27
496.3443
LysoPC(16:1(9Z))
LPC 16:1(9Z)
ME699687
24779461
C04230
14.78
494.3219
LysoPC(18:2(9Z,12Z))
LPC 18:2(9Z,12Z)
ME699696
11005824
C04230
2.95
520.336
LysoPC(18:3(6Z,9Z,12Z))
LPC 18:3(6Z,9Z,12Z)
ME699695
52924045
C04230
19.17
518.3269
LysoPC(18:4(6Z,9Z,12Z,15Z))
LPC 18:4(6z,9z,12z,15z)
ME699694
52924047
C04230
2.94
516.3052
LysoPC(20:3(5Z,8Z,11Z))
LPC 20:3(5Z,8Z,11Z)
ME699707
53480467
C04230
21.99
546.3605
LysoPC(20:4(5Z,8Z,11Z,14Z))
LPC 20:4(5Z,8Z,11Z,14Z)
ME699704
24779476
C04230
19.73
544.3433
LysoPC(22:0)
LPC 22:0
ME699721
24779479
C04230
14.65
580.4298
LysoPC(22:1(13Z))
LPC 22:1(13Z)
ME699720
53480471
C04230
14.66
578.4216
LysoPE(0:0/16:0)
LPE 0:0/16:0
ME699672
53480922
-
17.6
454.2963
LysoPE(0:0/16:1(9Z))
LPE 0:0/16:1(9Z)
ME699670
53480923
-
16.12
452.2795
LysoPE(0:0/18:1(11Z))
LPE 0:0/18:1(11Z)
ME699685
53480924
-
17.99
480.3125
LysoPE(0:0/18:2(9Z,12Z))
LPE 0:0/18:2(9Z,12Z)
ME699684
53480926
-
17.62
478.2968
LysoPE(0:0/18:3(6Z,9Z,12Z))
LPE 0:0/18:3(6Z,9Z,12Z)
ME699682
53480927
-
17.6
476.2787
LysoPE(0:0/20:1(11Z))
LPE 0:0/20:1(11Z)
ME699692
53480931
-
14.35
508.3365
LysoPE(0:0/20:2(11Z,14Z))
LPE 0:0/20:2(11Z,14Z)
ME699691
53480932
-
2.95
506.3213
LysoPE(0:0/20:3(11Z,14Z,17Z))
LPE 0:0/20:3(11Z,14Z,17Z)
ME699690
53480933
-
19.41
504.3116
LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))
LPE 0:0/20:4(5Z,8Z,11Z,14Z)
ME699689
53480936
-
17.98
502.2951
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))
LPE 0:0/22:5(4Z,7Z,10Z,13Z,16Z)
ME699698
53480943
-
17.09
528.312
LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))
LPE 0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)
ME699711
53480948
-
14.71
554.3243
LysoSM(d18:1)
Sphingosine-1-phosphocholine
ME699678
5280613
C03640
13.78
466.3553
Margaroylglycine
Margaroylglycine
ME699594
17937508
-
26.79
328.2831
MG(0:0/20:2(11Z,14Z)/0:0)
MG 0:0/20:2(11Z,14Z)/0:0
ME699625
53480964
-
17.7
383.3156
MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
MG 0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0
ME699623
11660820
-
25.63
377.2669
MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)
MG 0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0
ME699656
53480974
-
14.74
431.3174
MG(18:0/0:0/0:0)
MG 18:0/0:0/0:0
ME699614
15560610
-
20.4
359.318
MG(18:0e/0:0/0:0)
MG O-18:0
ME699605
10860876
-
26.39
345.341
Molybdenum cofactor (sulfide)
-
ME699700
53481396
-
14.32
539.8725
Myristic acid
Myristic acid
ME699545
11005
C06424
27.77
229.2166
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME699536
192878
C01250
8.91
174.0783
Neuroprotectin D1
Neuroprotectin D1
ME699616
16042541
-
14.95
361.2368
N-Heptanoylglycine
N-Heptanoylglycine
ME699540
10932172
-
2.96
188.1306
N-Lignoceroylsphingosine
Cer 18:1;O2/24:0
ME699743
5283571
-
27.08
650.6491
N,N-Dimethylaniline
N,N-Dimethylaniline
ME699523
949
C02846
27.67
122.0987
Nodeca-10(Z)-enoic acid
Nonadeca-10Z-enoic acid
ME699568
5312513
C00174
26.4
297.2823
Nodecanoic acid
Nonadecylic acid
ME699569
12591
C16535
28.87
299.2958
N-Undecanoylglycine
N-Undecanoylglycine
ME699549
454092
-
27.64
244.1939
Oleamide
Oleamide
ME699562
5283387
C19670
28.27
282.2788
O-(N-acetyl-a-neuraminosyl)-(2->3)-O-b-D-galactopy...
-
ME699892
22833674
-
30.04
1364.4842
P1,P4-Bis(5'-adenosyl) tetraphosphate
Diadenosine tetraphosphate
ME699820
53477841
-
8.9
833.0221
Palmitic acid
Palmitic acid
ME699556
985
C00249
26.13
257.2456
Palmitic amide
Palmitamide
ME699555
69421
-
28.35
256.2609
Palmitoylglycine
NA-Gly 16:0
ME699584
151008
-
24.49
314.2697
PC(14:0/15:0)
PC 14:0/15:0
ME699758
24778611
C00157
25.47
692.5276
PC(14:0/18:1(11Z))
PC 14:0/18:1(11Z)
ME699776
24778618
C00157
25.92
732.5498
PC(14:0/18:2(9Z,12Z))
PC 14:0/18:2(9Z,12Z)
ME699775
24778624
C00157
26.74
730.5377
PC(14:0/20:5(5Z,8Z,11Z,14Z,17Z))
PC 14:0/20:5(5Z,8Z,11Z,14Z,17Z)
ME699780
24778635
C00157
14.49
752.5225
PC(14:0/22:1(13Z))
PC 14:0/22:1(13Z)
ME699790
53478609
C00157
23.21
788.6147
PC(14:1(9Z)/16:1(9Z))
PC 14:1(9Z)/16:1(9Z)
ME699763
52922252
C00157
15.31
702.5049
PC(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))
PC 14:1(9Z)/18:4(6Z,9Z,12Z,15Z)
ME699773
52922270
C00157
14.26
724.4901
PC(14:1(9Z)/P-16:0)
-
ME699757
53478639
C00157
16.29
688.5283
PC(14:1(9Z)/P-18:1(11Z))
-
ME699766
53478643
C00157
13.46
714.5428
PC(15:0/16:1(9Z))
PC 15:0/16:1(9Z)
ME699768
24778657
C00157
25.56
718.5425
PC(15:0/20:3(5Z,8Z,11Z))
PC 15:0/20:3(5Z,8Z,11Z)
ME699783
53478647
C00157
26.28
770.5657
PC(15:0/20:4(5Z,8Z,11Z,14Z))
PC 15:0/20:4(5Z,8Z,11Z,14Z)
ME699782
52922330
C00157
26.09
768.5568
PC(15:0/22:0)
PC 15:0/22:0
ME699802
52922334
C00157
25.44
804.6468
PC(15:0/22:1(13Z))
PC 15:0/22:1(13Z)
ME699800
53478651
C00157
18
802.6357
PC(15:0/22:2(13Z,16Z))
PC 15:0/22:2(13Z,16Z)
ME699796
52922338
C00157
27.08
800.6148
PC(15:0/24:1(15Z))
PC 15:0/24:1(15Z)
ME699818
53478659
C00157
18.92
830.6665
PC(16:1(9Z)/22:2(13Z,16Z))
PC 16:1(9Z)/22:2(13Z,16Z)
ME699807
52922473
C00157
24.04
812.6138
PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699822
24778876
C00157
24.65
834.6021
PC(18:1(9Z)/18:1(9Z))
PC 18:1(9Z)/18:1(9Z)
ME699789
6437081
C00157
22.99
786.6053
PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699817
24778983
C00157
23.49
830.5725
PC(18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PC 18:3(6Z,9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)
ME699799
52922807
C00157
17.05
802.5403
PC(18:3(6Z,9Z,12Z)/P-18:1(11Z))
-
ME699781
53478827
C00157
24.78
766.5762
PC(18:4(6Z,9Z,12Z,15Z)/P-16:0)
-
ME699779
53478871
C00157
24.03
738.5417
PC(20:0/24:0)
PC 20:0/24:0
ME699856
53478885
C00157
27.8
902.7619
PC(20:2(11Z,14Z)/P-18:1(11Z))
-
ME699794
53478939
C00157
25.57
796.6205
PC(20:3(5Z,8Z,11Z)/P-18:1(11Z))
-
ME699793
53479005
C00157
25.56
794.6111
PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)...
PC 20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699837
52923327
C00157
22.17
854.5676
PC(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))
-
ME699792
53479053
C00157
24.28
792.5921
PC(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:1(11Z))
-
ME699791
53479143
C00157
26.45
790.5772
PC(22:0/24:1(15Z))
PC 22:0/24:1(15Z)
ME699862
24779122
C00157
27.41
928.7695
PC(22:0/P-18:1(11Z))
-
ME699815
53479161
C00157
28.13
828.6879
PC(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z...
PC 22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699850
52923669
C00157
25.11
882.5969
PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,...
PC 22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699848
53479327
C00157
22.33
880.5851
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))
-
ME699808
53479427
C00157
26.37
816.592
PC(24:0/24:1(15Z))
PC 24:0/24:1(15Z)
ME699871
53479477
C00157
27.81
956.8032
PC(24:1(15Z)/24:1(15Z))
PC 24:1(15Z)/24:1(15Z)
ME699870
6452499
C00157
28.06
954.7908
PC(24:1(15Z)/P-18:1(11Z))
-
ME699838
53479547
C00157
28.12
854.6994
PC(o-18:0/24:0)
PC O-18:0/24:0
ME699842
53481717
-
31.97
860.7427
PE(14:0/14:0)
PE 14:0/14:0
ME699735
9852308
C00350
15.69
636.4645
PE(14:0/14:1(9Z))
PE 14:0/14:1(9Z)
ME699734
52924113
C00350
12.61
634.4411
PE(14:0/P-18:1(11Z))
-
ME699753
53479561
C00350
10.46
674.51
PE(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699777
52924156
C00350
14.7
734.475
PE(14:1(9Z)/P-16:0)
-
ME699741
53479571
C00350
19.22
646.4799
PE(15:0/18:4(6Z,9Z,12Z,15Z))
PE 15:0/18:4(6Z,9Z,12Z,15Z)
ME699760
52924165
C00350
15.17
698.4768
PE(15:0/P-16:0)
PE P-16:0/15:0 or PE O-16:1/15:0
ME699746
53479583
C00350
19.73
662.5081
PE(16:0/P-18:1(11Z))
-
ME699764
53479594
C00350
16.86
702.5438
PE(16:1(9Z)/P-18:1(11Z))
-
ME699762
53479607
C00350
12.82
700.5268
PE(18:1(11Z)/22:2(13Z,16Z))
PE 18:1(11Z)/22:2(13Z,16Z)
ME699795
53479639
C00350
20.23
798.6
PE(18:3(6Z,9Z,12Z)/P-16:0)
-
ME699761
53479681
C00350
23.28
698.5136
PE(18:4(6Z,9Z,12Z,15Z)/P-18:1(11Z))
-
ME699771
53479707
C00350
15.59
722.5118
PE(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699811
52924877
C00350
25.83
820.5816
PE(20:1(11Z)/24:1(15Z))
PE 20:1(11Z)/24:1(15Z)
ME699839
53479725
C00350
22.58
856.6752
PE(20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z))
PE 20:5(5Z,8Z,11Z,14Z,17Z)/24:1(15Z)
ME699834
53479838
C00350
21.96
848.6202
PE(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z...
PE 22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699827
52923868
C00350
25.47
840.5521
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))
-
ME699786
53479907
C00350
23.7
778.5785
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,...
PE 22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699825
53479935
C00350
8.71
838.5359
Pentacosanoylglycine
Pentacosanoylglycine
ME699661
53481662
-
29.67
440.4151
PG(16:0/16:0)
PG 16:0/16:0
ME699772
446440
-
15.58
723.5144
PG(16:0/20:3(5Z,8Z,11Z))
PG 16:0/20:3(5Z,8Z,11Z)
ME699784
53480603
-
23.2
773.5296
PG(18:0/18:0)
PG 18:0/18:0
ME699787
24779552
-
23.7
779.5814
PG(18:0/22:5(4Z,7Z,10Z,13Z,16Z))
PG 18:0/22:5(4Z,7Z,10Z,13Z,16Z)
ME699814
53480612
-
24.41
825.5631
PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PG 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699813
24779554
-
24.44
823.554
PGF2a ethanolamide
PGF2alpha-EA
ME699637
53481911
C13828
27.07
398.2904
PGP(16:0/22:5(4Z,7Z,10Z,13Z,16Z))
-
ME699847
53481804
-
28.73
877.4954
PGP(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
-
ME699846
53481806
-
28.51
875.4827
PGP(18:0/18:1(11Z))
-
ME699840
53481823
-
23.87
857.5347
PGP(18:0/20:3(5Z,8Z,11Z))
-
ME699849
53481828
-
23.66
881.5344
PGP(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
-
ME699833
53481886
-
11.57
847.4548
Phosphohydroxypyruvic acid
Phosphohydroxypyruvic acid
ME699538
105
C03232
28.25
184.9805
Phytoene
Phytoene
ME699706
5280784
C05413
25.77
545.5038
Phytosphingosine
Phytosphingosine
ME699586
122121
C12144
27.89
318.2989
Phytosphingosine-1-P
Phytosphingosine 1-phosphate
ME699636
53481399
-
23.85
398.2628
PI(16:0/16:0)
PI 16:0/16:0
ME699806
-
C00626
14.32
811.5367
PI(16:0/16:2(9Z,12Z))
PI 16:0/16:2(9Z,12Z)
ME699804
-
-
8.73
807.5004
PI(16:0/18:1(11Z))
PI 16:0/18:1(11Z)
ME699824
-
-
23.92
837.5473
PI(16:0/20:0)
PI 16:0/20:0
ME699845
-
-
24.23
867.593
PI(16:0/20:3(5Z,8Z,11Z))
PI 16:0/20:3(5Z,8Z,11Z)
ME699843
-
-
29.51
861.554
PI(16:0/22:2(13Z,16Z))
PI 16:0/22:2(13Z,16Z)
ME699855
-
-
24.08
891.5999
PI(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PI 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699858
-
-
19.14
911.5646
PIP(16:0/20:1(11Z))
-
ME699867
53480124
C00626
24.19
945.5501
Pregnetriol
-
ME699597
3032833
-
25.92
337.2764
Procaine
Procaine
ME699548
-
-
12.79
237.1589
Propinol adenylate
Propinol adenylate
ME699642
440863
C05983
30.31
404.097
Propionylcholine
Propionylcholine
ME699531
75612
-
25.08
161.1399
Prostaglandin E2 ethanolamide
PGE2 ethanolamide
ME699633
35021785
-
25.84
396.2764
Prostaglandin F2a
PGF2alpha
ME699611
5283078
C00639
14.43
355.2487
PS(14:0/16:1(9Z))
PS 14:0/16:1(9Z)
ME699765
52926036
-
15.42
706.462
PS(14:1(9Z)/18:3(9Z,12Z,15Z))
PS 14:1(9Z)/18:3(9Z,12Z,15Z)
ME699774
52925233
-
14.42
728.4501
PS(16:0/16:0)
PS 16:0/16:0
ME699778
3081382
C02737
23.9
736.5083
PS(18:0/20:0)
PS 18:0/20:0
ME699812
52926069
C02737
26.39
820.6032
Pseudoephedrine
Pseudoephedrine
ME699533
7028
C02765
14.49
166.1233
(R)-3-Hydroxy-Octadecanoic acid
-
ME699571
5312838
-
25.29
301.2781
(R)-Amphetamine
-
ME699527
32893
C07514
24.88
136.1082
Retil
Retinal
ME699563
638015
C00376
24.5
285.223
Retinoic acid
Retinoic acid
ME699570
444795
C00777
16.46
301.2166
Retinoyl b-glucuronide
Retinoyl beta-glucuronide
ME699683
5281877
C11061
9.24
477.2487
Ribose 1,5-bisphosphate
Ribose 1,5-bisphosphate
ME699578
14035695
C01151
29.58
310.9916
(S)-2,3-Epoxysqualene
(S)-2,3-Epoxysqualene
ME699654
53477723
C01054
28.52
427.3921
S-Adenosylmethionimine
S-Adenosylmethioninamine
ME699612
439415
C01137
16.62
356.1625
Selenocysteine
Selenocysteine
ME699534
25076
C05688
28.09
168.9662
SM(d17:1/24:1(15Z))
SM 17:1;O2/24:1(15Z)
ME699797
52931208
-
26.68
800.6815
SM(d18:0/12:0)
SM 18:0;O2/12:0
ME699744
53481358
C00550
24.77
651.5451
SM(d18:0/14:0)
SM 18:0;O2/14:0
ME699756
44260138
C00550
24.63
677.56
SM(d18:0/26:1(17Z))
SM 18:0;O2/26:1(17Z)
ME699829
44260128
C00550
28.2
841.7197
SM(d18:1/14:0)
SM 18:1;O2/14:0
ME699754
11433862
-
24.06
675.5478
SM(d19:1/24:1(15Z))
SM 19:1;O2/24:1(15Z)*
ME699816
52931224
C00550
26.64
828.7083
(S)-Succinyldihydrolipoamide
S(8)-Succinyldihydrolipoamide
ME699576
439425
C01169
27.17
308.1025
Stearoylethanolamide
Stearoyl-EA
ME699595
27902
-
28.25
328.319
Testosterone glucuronide
Testosterone glucuronide
ME699675
108192
C11134
15.08
465.2529
Tetracosahexaenoic acid
Tetracosahexaenoic acid
ME699613
11792612
-
13.92
357.2806
Tetrahydroaldosterone-3-glucuronide
Tetrahydroaldosterone-3-glucuronide
ME699702
167918
C03033
28.21
541.264
TG(15:0/16:0/20:2(11Z,14Z))[iso6]
TG 15:0/16:0/20:2(11Z,14Z)
ME699832
53481032
-
28.1
845.7607
TG(15:0/16:0/20:3(8Z,11Z,14Z))[iso6]
TG 15:0/16:0/20:3(8Z,11Z,14Z)
ME699831
53481033
-
27.78
843.7468
TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z))[iso6]
TG 15:0/16:0/20:4(5Z,8Z,11Z,14Z)
ME699830
53481034
-
27.5
841.7287
TG(15:0/18:1(9Z)/16:0)[iso6]
TG 15:0/18:1(9Z)/16:0
ME699810
53481037
-
28.01
819.7429
TG(15:0/18:1(9Z)/16:1(9Z))[iso6]
TG 15:0/18:1(9Z)/16:1(9Z)
ME699809
53481038
-
24.01
817.7243
TG(16:0/14:0/16:0)[iso3]
TG 16:0/14:0/16:0
ME699788
545606
-
28.11
779.7115
TG(16:0/16:0/16:0)[iso]
TG 16:0_16:0_16:0
ME699805
11147
-
28.14
807.7451
TG(16:0/16:0/16:1(9Z))[iso3]
TG 16:0/16:0/16:1(9Z)
ME699803
9543986
C00422
27.82
805.7279
TG(16:0/16:0/18:1(9Z))[iso3]
TG 16:0/16:0/18:1(9Z)
ME699821
25240460
C00422
28.14
833.7573
TG(16:0/16:0/18:2(9Z,12Z))[iso3]
TG 16:0/16:0/18:2(9Z,12Z)
ME699819
25240356
C00422
27.92
831.7403
TG(16:0/16:0/20:1(11Z))[iso3]
TG 16:0/16:0/20:1(11Z)
ME699844
9544062
C00422
29.18
861.7877
TG(16:0/16:1(9Z)/16:1(9Z))[iso3]
TG 16:0/16:1(9Z)/16:1(9Z)
ME699801
9543987
C00422
28.03
803.7152
TG(16:0/18:0/18:2(9Z,12Z))[iso6]
TG 16:0/18:0/18:2(9Z,12Z)
ME699841
9544069
C00422
28.12
859.7787
TG(16:0/18:0/20:1(11Z))[iso6]
TG 16:0/18:0/20:1(11Z)
ME699853
9544170
C00422
28.82
889.8219
TG(16:0/18:1(9Z)/20:1(11Z))[iso6]
TG 16:0/18:1(9Z)/20:1(11Z)
ME699852
9544199
C00422
28.22
887.8057
TG(16:0/18:2(9Z,12Z)/20:1(11Z))[iso6]
TG 16:0/18:2(9Z,12Z)/20:1(11Z)
ME699851
9544231
C00422
28.07
885.7894
TG(16:0/20:0/20:4(5Z,8Z,11Z,14Z))[iso6]
TG 16:0/20:0/20:4(5Z,8Z,11Z,14Z)
ME699859
9544514
C00422
29.12
911.8041
TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG 16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)
ME699857
9544572
C00422
28.81
909.7862
TG(16:1(9Z)/14:0/16:1(9Z))[iso3]
TG 16:1(9Z)/14:0/16:1(9Z)
ME699785
53480484
-
28
775.679
TG(18:0/18:2(9Z,12Z)/20:1(11Z))[iso6]
TG 18:0/18:2(9Z,12Z)/20:1(11Z)
ME699860
25240377
C00422
28.22
913.8211
TG(18:0/20:0/20:0)[iso3]
TG 18:0/20:0/20:0
ME699868
9544551
C00422
29.76
947.9049
TG(18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG 18:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)
ME699866
9544904
C00422
29.11
937.8213
TG(18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG 18:1(9Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)
ME699865
9544977
C00422
29.07
935.8042
TG(18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso...
TG 18:2(9Z,12Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)
ME699864
9545051
C00422
28.75
933.7864
TG(20:0/20:1(11Z)/20:1(11Z))[iso3]
TG 20:0/20:1(11Z)/20:1(11Z)
ME699877
9545040
C00422
29.92
971.9051
TG(20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG 20:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)
ME699875
9545280
C00422
28.23
965.8533
TG(20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[i...
TG 20:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)
ME699872
9545507
C00422
26.85
959.809
TG(20:1(11Z)/20:1(11Z)/20:1(11Z))
TG 20:1(11Z)/20:1(11Z)/20:1(11Z)
ME699876
9545117
C00422
31.27
969.8852
TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
TG 20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)
ME699873
9545357
C00422
28.21
963.8405
TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6...
TG 20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z)
ME699835
53480560
-
28.12
849.6948
TG(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z...
TG 20:4(5Z,8Z,11Z,14Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699869
53480569
-
25.14
953.7602
TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z...
TG 20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699878
9546333
-
26.21
975.742
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10...
TG 22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699880
53480587
-
27.07
979.7771
TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7...
TG 22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699879
53480589
-
26.87
977.7585
Thymol
Thymol
ME699530
6989
C09908
25.07
151.1146
trans-D-Decenoyl-CoA
-
ME699861
5462212
-
8.31
920.2481
Tridecanoic acid
Tridecylic acid
ME699544
12530
C17076
30.02
215.203
Trihexosylceramide (d18:1/24:0)
Hex3Cer 18:1;O2/24:0
ME699885
14184732
C04737
25.44
1136.8074
Trihexosylceramide (d18:1/24:1(15Z))
-
ME699884
20057318
C04737
25.44
1134.7874
Trihexosylceramide (d18:1/9Z-18:1)
-
ME699882
20057314
C04737
16.48
1050.6981
Triphosphate
-
ME699553
3440921
C00536
20.75
253.8748
Triterpenoid
-
ME699709
451674
C06085
29.09
553.3166
Ubiquinol-6
Ubiquinol-6
ME699727
5813154
-
20.77
593.4526
Undecanoylcholine
Undecanoylcholine
ME699559
53481666
-
28.26
273.2648
Uroporphyrinogen III
Uroporphyrinogen III
ME699823
1179
C01051
8.88
837.2817
Venlafaxine
Venlafaxine
ME699560
5656
C07187
23.28
278.2168
Analysis: FT-ICR-MS Negative ion mode (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
12a-Hydroxy-3-oxocholadienic acid
12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic acid
ME699916
53477691
C15569
16.57
385.2343
19-Hydroxy-PGE2
19R-Hydroxy-PGE2
ME699951
5283038
-
15.94
367.212
3a,16b-Dihydroxyandrostenone
-
ME699936
-
-
24.36
303.1968
Azythromycin
Azithromycin
ME699923
53477736
C06838
24.78
747.5005
Canrenone
Canrenone
ME699948
13789
-
17.15
339.1968
DG(14:0/22:4(7Z,10Z,13Z,16Z)/0:0)
DG 14:0/22:4(7Z,10Z,13Z,16Z)/0:0
ME699946
53477966
-
26
615.5003
DG(15:0/18:0/0:0)
DG 15:0/18:0/0:0
ME699947
14275365
-
25.36
581.5164
DG(15:0/20:0/0:0)
DG 15:0/20:0/0:0
ME699917
53478007
-
26.12
609.5462
DG(15:0/22:0/0:0)
DG 15:0/22:0/0:0
ME699913
53478015
-
26.77
637.5764
DG(16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)
DG 16:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0
ME699921
53478030
-
26.05
641.5144
DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
DG 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0
ME699932
9543881
-
25.97
667.53
DG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
DG 22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0
ME699918
9543967
-
26.79
719.5582
Eicosadienoic acid
Eicosadienoic acid
ME699944
6439848
C16525
21.15
307.2618
Eicosapentaenoic acid
Eicosapentaenoic acid
ME699899
446284
C06428
17.6
301.2149
Finasteride
Finasteride
ME699922
57363
D00321
26.59
371.2649
Gingerol
Gingerol
ME699950
3473
C10462
15.94
293.1769
Isoacitretin
Isoacitretin
ME699945
6437841
-
16.25
325.1815
Lactosylceramide (d18:1/12:0)
-
ME699941
20057304
C01290
26.24
804.5507
LysoPC(10:0)
LPC 10:0
ME699952
5313971
-
16.01
411.2371
LysoPE(0:0/16:1(9Z))
LPE 0:0/16:1(9Z)
ME699901
53480923
-
15.8
450.257
Nonadecanoic acid
Nonadecylic acid
ME699905
12591
C16535
21.97
297.2776
Oleic acid
Oleic acid
ME699938
445639
C00712
20.05
281.2466
PA(20:4(5Z,8Z,11Z,14Z)e/2:0)
-
ME699900
53480670
-
15.13
485.2715
Palmitic acid
Palmitic acid
ME699939
985
C00249
19.79
255.2314
PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC 18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699904
24778983
C00157
26.07
828.5553
PC(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)...
PC 20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699907
52923327
C00157
26.32
852.5556
PC(o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PC o-22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME699940
53481755
-
27.27
874.6658
PE(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699931
52924156
C00350
24.32
732.4652
PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)...
PE 18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699919
52924469
C00350
24.19
782.479
PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699927
53479768
C00350
25.73
812.5238
PE(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)...
PE 20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699920
52924662
C00350
25.18
810.5087
PE(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,...
PE 20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699910
52924872
C00350
24.27
808.4929
PE(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
PE 22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)
ME699915
53479901
C00350
26.98
840.5551
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,...
PE 22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699934
53479935
C00350
25.5
836.5235
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,...
PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME699924
9546797
C00350
24.79
834.5065
PE(O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z))
PE O-18:1(1Z)/20:4(5Z,8Z,11Z,14Z)
ME699942
9547058
C00350
23.05
750.5423
Retinoic acid
Retinoic acid
ME699926
444795
C00777
16.36
299.1993
SM(d18:0/14:1(9Z)(OH))
SM 18:0;O2/14:1;O
ME699903
53481777
C00550
25.33
687.5064
Stearic acid
Stearic acid
ME699933
5281
C01530
21.28
283.2622
TG(16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG 16:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)
ME699906
9544150
C00422
29.11
851.7124
TG(16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG 16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)
ME699949
9544319
C00422
29.39
879.743
TG(16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG 16:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)
ME699909
9544362
C00422
29.05
877.7251
TG(16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[i...
TG 16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)
ME699929
9544762
C00422
28.71
901.7245
TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3]
TG 16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)
ME699935
9544179
C00422
28.73
849.6952
TG(16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6...
TG 16:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)
ME699912
9544410
C00422
28.71
875.7103
TG(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z...
TG 16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)
ME699914
9544831
C00422
28.65
899.7094
TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6]
TG 18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)
ME699908
9544638
C00422
29.34
905.755
TG(18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))[iso6...
TG 18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)
ME699925
9544702
C00422
29.03
903.7403
TG(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z...
TG 18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)
ME699930
9545200
C00422
28.71
927.7402
TG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z...
TG 18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)
ME699902
9545277
C00422
28.43
925.7246
TG(18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z))...
TG 18:3(9Z,12Z,15Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)
ME699937
14390011
-
28.67
873.6952
TG(20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z))[iso6...
TG 20:4(5Z,8Z,11Z,14Z)/14:0/18:3(9Z,12Z,15Z)
ME699943
53480560
-
28.36
847.6815
Trihexosylceramide (d18:1/18:0)
Hex3Cer 18:1;O2/18:0
ME699911
14215292
C04737
26.25
1050.6955
Verapamil
Verapamil
ME699928
2520
C07188
17.59
453.2754
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