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Return to study ST001383 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
tryptophan
Tryptophan
ME318740
6305
C00078
3.665
205.098176
choline
Choline
ME318611
305
C00114
0.651
104.107276
proline@0.62
Proline
ME318717
145742
C00148
0.619
116.070576
proline@0.70
Proline
ME318718
145742
C00148
0.701
116.070576
PC(36:2)
PC 36:2
ME318703
6441487
C00157
13.984
786.602376
cholesterol
Cholesterol
ME318610
-
C00187
13.403
369.353176
inosine
Inosine
ME318649
6021
C00294
2.501
269.088076
creatine
Creatine
ME318614
586
C00300
0.693
132.076776
carnitine@0.67
Carnitine
ME318606
2724480
C00318
0.672
162.113176
carnitine@0.76
Carnitine
ME318607
2724480
C00318
0.759
162.112976
sphingosine (C18)
Sphingosine
ME318735
5353955
C00319
9.957
300.289876
kynurenine
Kynurenine
ME318650
161166
C00328
2.708
209.092776
bilirubin
Bilirubin
ME318571
5280352
C00486
8.079
585.272476
biliverdin
Biliverdin
ME318572
5280353
C00500
9.2
583.256376
sn-glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME318732
657272
C00670
0.638
258.110976
FA(18:1)@11.57
Octadecenoic acid
ME318625
-
C00712
11.566
283.262576
FA(18:1)@11.69
Octadecenoic acid
ME318626
-
C00712
11.686
283.263376
cortisol
Cortisol
ME318612
5754
C00735
7.788
363.215476
cortisone
Cortisone
ME318613
222786
C00762
7.576
361.201576
pantothenate@3.41
Pantothenic acid
ME318687
6613
C00864
3.415
220.117976
pantothenate@3.48
Pantothenic acid
ME318688
6613
C00864
3.484
220.117976
indoleacetate
Indoleacetic acid
ME318648
802
C00954
5.924
176.070576
thyroxine
Thyroxine
ME318738
5819
C01829
8.522
777.693976
glycocholate
Glycocholic acid
ME318638
10140
C01921
9.624
466.316276
glycocholate@9.54
Glycocholic acid
ME318636
10140
C01921
9.54
466.316276
glycocholate@9.62
Glycocholic acid
ME318637
10140
C01921
9.624
466.316276
indole-3-lactate
Indolelactic acid
ME318647
-
C02043
5.483
206.081176
alpha-tocopherol
alpha-Tocopherol
ME318560
14985
C02477
13.308
431.387776
Car(8:0)
CAR 8:0
ME318601
11953814
C02838
6.934
288.216976
Car(4:0)
CAR 4:0
ME318595
-
C02862
3.209
232.154376
Car(16:0)
CAR 16:0
ME318588
11953816
C02990
10.235
400.342176
Car(3:0)
CAR 3:0
ME318593
107738
C03017
2.29
218.138976
piperine
Piperine
ME318714
638024
C03882
9.235
286.144676
LPC(15:0)
LPC 15:0
ME318656
-
C04230
10.865
482.324976
LPC(16:0)@10.98
LPC 16:0
ME318657
-
C04230
10.977
496.341076
LPC(16:0)@11.09
LPC 16:0
ME318658
-
C04230
11.093
496.341476
LPC(17:0)
LPC 17:0
ME318659
-
C04230
11.297
510.355576
LPC(18:2)@10.82
LPC 18:2
ME318661
-
C04230
10.82
520.340976
LPC(18:2)@10.94
LPC 18:2
ME318662
-
C04230
10.936
520.341176
LPC(20:0)
LPC 20:0
ME318663
-
C04230
11.831
552.402376
LPC(20:3)@11.37
LPC 20:3
ME318664
-
C04230
11.374
546.354776
LPC(20:3)@11.60
LPC 20:3
ME318665
-
C04230
11.596
546.354276
LPC(20:4)
LPC 20:4
ME318666
-
C04230
10.921
544.340776
LPE(18:2)@10.60
LPE 18:2
ME318667
460604
C04230
10.596
468.309076
LPE(18:2)@10.64
LPE 18:2
ME318668
-
C04230
10.639
494.324076
LPE(18:2)@10.75
LPE 18:2
ME318669
-
C04230
10.754
494.324076
LPE(18:2)@10.76
LPE 18:2
ME318670
-
C04230
10.763
494.324776
glycochenodeoxycholate@10.02
Glycochenodeoxycholic acid
ME318634
12544
C05462
10.024
450.321776
glycochenodeoxycholate@10.16
Glycochenodeoxycholic acid
ME318635
12544
C05462
10.158
450.322176
urobilinogen
D-Urobilinogen
ME318741
440784
C05791
7.119
591.317976
sphingosine-1P (C18)
Sphingosine 1-phosphate
ME318736
-
C06124
10.652
380.254376
FA(16:1)
Hexadecenoic acid
ME318624
-
C08362
11.325
255.231276
lenticin
Lenticin
ME318652
442106
C09213
3.864
247.144376
benzylbutylphthalate
Benzyl butyl phthalate
ME318570
2347
C14211
10.228
313.143476
25-hydroxy-cholesterol
25-Hydroxycholesterol
ME318546
65094
C15519
12.376
385.346876
S-allylcysteine
S-Allylcysteine
ME318720
98280
C16759
2.363
162.058676
oleamide
Oleamide
ME318681
5283387
C19670
11.363
282.279376
13-Docosenamide
13-Docosenamide
ME318538
-
-
11.564
338.341776
19R-Hydroxy-PGE2
19R-Hydroxy-PGE2
ME318539
-
-
8.896
369.227176
1-Acetylindole
-
ME318540
68470
-
5.483
160.075676
1-hexadecyl-2-ethyl-sn-glycero-3-phosphocholine
-
ME318541
24779410
-
11.713
510.391776
1H-Indole-4-carbaldehyde
Indole-4-carboxaldehyde
ME318542
333703
-
3.668
146.060076
1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-p...
-
ME318543
-
-
13.85
770.605776
1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-p...
-
ME318544
-
-
14.378
770.605776
1-O-Hexadecyl-2-O-dihomogammalinolenoylglycero-3-p...
-
ME318545
-
-
15.123
770.605776
2-acetylpyrrolidine@4.00
2-Acetylpyrrolidine
ME318547
550747
-
4.003
114.091276
2-acetylpyrrolidine@4.14
2-Acetylpyrrolidine
ME318548
550747
-
4.137
114.091676
2-Aminoacetophenone
2-Aminoacetophenone
ME318549
-
-
2.706
136.075676
2-O-(5_8_11_14_17-Eicosapentaenoyl)-1-O-hexadecylg...
-
ME318550
-
-
13.496
766.574476
3-AMINO-2-NAPHTHOIC ACID
-
ME318551
22244
-
3.668
188.070576
4-Coumarylalcohol
4-Coumaryl alcohol
ME318552
-
-
6.83
151.075376
5-Hydroxyindole acetic acid
5-Hydroxyindoleacetic acid
ME318553
-
-
2.707
192.065476
6-methoxyquinoline
6-Methoxyquinoline
ME318554
-
-
2.433
160.075676
8-methoxy-4a-methyl-3_4_9_10-tetrahydrophenanthren...
-
ME318555
259197
-
9.635
243.137976
9Z_11E_13E-Octadecatrienoicacid_ethylester
-
ME318556
12430060
-
11.591
307.263176
Ala-Arg-Ala@6.85
Ala-Arg-Ala
ME318557
-
-
6.849
317.193176
Ala-Arg-Ala@7.50
Ala-Arg-Ala
ME318558
-
-
7.499
317.193176
Ala-Glu-Arg
Ala-Glu-Arg
ME318559
-
-
7.073
375.198676
Alprenolol@11.53
Alprenolol
ME318562
-
-
11.531
250.180176
Alprenolol@11.60
Alprenolol
ME318563
-
-
11.603
250.180176
Alprenolol@8.58
Alprenolol
ME318561
-
-
8.581
250.180176
Aniline
Aniline
ME318564
-
-
2.706
94.065176
Arg-Asp-Gly
Arg-Asp-Gly
ME318565
-
-
5.77
347.167376
Arg-Asp-Ser
Arg-Asp-Ser
ME318566
-
-
5.48
377.177876
Arg-Met-Gly
Arg-Met-Gly
ME318567
-
-
13.523
363.180876
Arg-Thr-Gly
Arg-Thr-Gly
ME318568
-
-
5.797
333.188076
Asp-Phe
Asp-Phe
ME318569
-
-
3.834
281.113176
C19 STEROIDS (ANDROGENS) AND DERIVATIVES (C21H32O2...
-
ME318573
-
-
11.007
317.247476
C19 STEROIDS(ANDROGENS)AND DERIVATIVES (C21H32O2)
-
ME318574
-
-
11.94
317.247476
C21 STEROIDS AND DERIVATIVES(C21H30O4)
-
ME318575
-
-
7.872
347.221676
C21STEROIDS(GLUCO/MINERALOCORTICOIDS_PROGESTOGINS)...
-
ME318576
-
-
11.722
315.231876
C24 BILEACIDS_ALCOHOLS_AND DERIVATIVES (C24H42O4)
-
ME318578
-
-
11.926
395.315576
C24 BILEACIDS AND DERIVATIVES(C24H40O4)
-
ME318577
-
-
11.13
393.299976
Car(10:0)
CAR 10:0
ME318579
10245190
-
8.209
316.248276
Car(10:1)@7.59
CAR 10:1
ME318580
-
-
7.591
314.233076
Car(10:1)@7.73
CAR 10:1
ME318581
-
-
7.728
314.233076
Car(11:0)
CAR 11:0
ME318582
-
-
8.553
330.264076
Car(12:0)@9.00
CAR 12:0
ME318583
168381
-
9.001
344.279576
Car(12:0)@9.12
CAR 12:0
ME318584
168381
-
9.115
344.279576
Car(12:1)
CAR 12:1
ME318585
53481671
-
8.734
342.264176
Car(14:0)
CAR 14:0
ME318586
53477791
-
9.761
372.311176
Car(14:2)
CAR 14:2
ME318587
53481681
-
9.08
368.279776
Car(16:2)
CAR 16:2
ME318589
-
-
9.644
396.310376
Car(18:0)
CAR 18:0
ME318590
6426855
-
10.586
428.374176
Car(18:1)
CAR 18:1
ME318591
53477789
-
10.343
426.359076
Car(20:0)
CAR 20:0
ME318592
53477833
-
10.86
456.404776
Car(3:0, 2-CH3)
CAR 3:0;2Me
ME318594
168379
-
3.123
232.154376
Car(4:0,3-CH3)@3.98
CAR 4:0;3Me
ME318596
6426901
-
3.977
246.169976
Car(4:0,3-CH3)@4.06
CAR 4:0;3Me
ME318597
6426901
-
4.055
246.169976
Car(5:0-OH)
CAR 5:0;OH
ME318598
-
-
2.591
262.165276
Car(5:1)
CAR 5:1
ME318599
-
-
3.793
244.154376
Car(6:0)
CAR 6:0
ME318600
6426853
-
5.142
260.185876
Car(8:1)_a
CAR 8:1
ME318602
-
-
6.043
286.201276
Car(8:1)_b
CAR 8:1
ME318603
-
-
6.205
286.201776
Car(9:0)@7.31
CAR 9:0
ME318604
53481660
-
7.306
302.232576
Car(9:0)@7.45
CAR 9:0
ME318605
53481660
-
7.445
302.232876
Cetaben@11.53
-
ME318608
47263
-
11.531
362.305376
Cetaben@11.60
-
ME318609
47263
-
11.603
362.305376
Creatinine
Creatinine
ME318615
-
-
0.683
114.066176
diethylphthalate
Diethyl phthalate
ME318616
6781
-
8.289
223.096476
Dihydromorphine
-
ME318617
-
-
7.339
288.159376
diisononylphthalate
Diisononyl phthalate
ME318618
-
-
12.228
419.315576
Ecgonine
Ecgonine
ME318619
-
-
1.044
186.112476
epibrassinolide
24-epi-Brassinolide
ME318620
-
-
9.841
481.352776
Ethyl vanillin
-
ME318621
-
-
9.211
167.070276
Etonogestrel
-
ME318622
-
-
11.492
325.216176
FA(12:0-NH2)
Aminododecanoic acid
ME318623
-
-
8.061
216.195776
FA(20:2(OH_Ke_cyclo))
-
ME318627
-
-
9.979
337.237376
FLAVANONES(C16H14O3)
-
ME318628
-
-
10.725
255.101576
gamma-glutamylleucine
gamma-Glutamylleucine
ME318629
151023
-
4.167
261.144476
Glu-Phe
Glu-Phe
ME318630
111299
-
4.376
295.128876
Glu-Thr-Arg
Glu-Thr-Arg
ME318631
-
-
6.686
405.209176
Gly-Arg-Glu@13.52
Gly-Arg-Glu
ME318632
-
-
13.523
361.182976
Gly-Arg-Glu@14.27
Gly-Arg-Glu
ME318633
-
-
14.265
361.182976
Gly-Val-Arg@7.52
Gly-Val-Arg
ME318639
-
-
7.52
331.208876
Gly-Val-Arg@8.20
Gly-Val-Arg
ME318640
-
-
8.2
331.208876
His-Trp-Glu
His-Trp-Glu
ME318641
-
-
3.143
471.198676
Hypoxanthine
Hypoxanthine
ME318642
-
-
2.482
137.045776
Ile-Arg-Gly
Ile-Arg-Gly
ME318643
-
-
8.614
345.224476
Ile-Arg-Val
Ile-Arg-Val
ME318644
-
-
10.059
387.271476
Ile-Val
Ile-Val
ME318645
435949
-
3.552
231.170676
Indole
Indole
ME318646
-
-
3.668
118.065176
L-Arginine
Arginine
ME318651
-
-
0.629
175.118976
Leu-Ala-Arg
Leu-Ala-Arg
ME318653
-
-
9.176
359.240176
Leucylproline
Leu-Pro
ME318654
-
-
0.717
229.154676
Leu-Ile
Leu-Ile
ME318655
7010533
-
4.94
245.186576
LPC(18:1)
LPC 18:1
ME318660
-
-
11.096
522.356976
LPE(18:2)@10.79
LPE 18:2
ME318671
-
-
10.795
478.293476
LPE(18:2)@10.90
LPE 18:2
ME318672
-
-
10.898
478.293876
MethylArachidonate
-
ME318673
-
-
11.898
319.263176
methyllinolenate@11.72
-
ME318674
-
-
11.72
293.247476
methyllinolenate@11.85
-
ME318675
-
-
11.855
293.247476
Methyltestosterone
17-Methyltestosterone
ME318676
-
-
10.715
303.231876
Metipranolol
Metipranolol
ME318677
-
-
6.541
310.201276
MG(16:0)
MG 16:0
ME318678
-
-
11.356
331.284276
MG(18:1)@11.44
MG 18:1
ME318679
-
-
11.44
357.299976
MG(18:1)@11.51
MG 18:1
ME318680
-
-
11.506
357.299976
OLEANANE TRITERPENOIDS (C30H46O4)@11.58
-
ME318683
-
-
11.583
471.346876
OLEANANE TRITERPENOIDS (C30H46O4)@11.70
-
ME318682
-
-
11.698
471.346876
Oxymesterone@10.47
-
ME318684
-
-
10.465
319.226776
Oxymesterone@10.62
-
ME318685
-
-
10.624
319.226776
Oxyquinoline
Quinolin-8-ol
ME318686
-
-
2.706
146.060076
PC(28:0)
PC 28:0
ME318689
-
-
12.581
678.506876
PC(30:0)
PC 30:0
ME318690
-
-
13.045
706.539876
PC(32:0)
PC 32:0
ME318691
-
-
13.631
734.569476
PC(32:1)
PC 32:1
ME318692
-
-
13.149
732.555576
PC(32:2)
PC 32:2
ME318693
-
-
12.813
730.539676
PC(33:2)
PC 33:2
ME318694
-
-
13.047
744.555076
PC(34:1)
PC 34:1
ME318695
-
-
13.741
760.586876
PC(34:2)
PC 34:2
ME318696
-
-
13.31
758.571276
PC(34:3)@12.91
PC 34:3
ME318697
-
-
12.908
756.555076
PC(34:3)@13.02
PC 34:3
ME318698
-
-
13.015
756.555276
PC(34:4)
PC 34:4
ME318699
-
-
12.754
754.539076
PC(35:2)@13.54
PC 35:2
ME318700
-
-
13.536
772.585076
PC(35:2)@13.64
PC 35:2
ME318701
-
-
13.637
772.585076
PC(35:3)
PC 35:3
ME318702
-
-
13.166
770.569476
PC(36:4)
PC 36:4
ME318704
-
-
13.055
782.570976
PC(38:4)
PC 38:4
ME318705
-
-
13.888
810.600776
PC(38:6)@13.01
PC 38:6
ME318706
-
-
13.005
806.570076
PC(38:6)@13.17
PC 38:6
ME318707
-
-
13.165
806.571076
PC(40:6)
PC 40:6
ME318708
-
-
13.802
834.601876
PC(40:8)
PC 40:8
ME318709
-
-
13.385
830.569576
PC(O-36:4)
PC O-36:4
ME318710
-
-
13.665
768.590176
Phe-Leu
Phe-Leu
ME318711
-
-
5.398
279.170276
Phe-Phe
Phe-Phe
ME318712
-
-
5.625
313.155976
Phe-Trp
Phe-Trp
ME318713
-
-
5.583
352.165976
PRIMARYAMIDES(C18H37NO)
-
ME318715
-
-
11.621
284.294776
Pro-Gly-Val
Pro-Gly-Val
ME318716
-
-
3.161
272.160476
Pyroglutamic acid
Pyroglutamic acid
ME318719
-
-
4.452
130.049876
Ser-Arg-Ile@7.70
Ser-Arg-Ile
ME318721
-
-
7.698
375.235076
Ser-Arg-Ile@8.21
Ser-Arg-Ile
ME318722
-
-
8.211
375.235076
Ser-Arg-Ile@8.36
Ser-Arg-Ile
ME318723
-
-
8.357
375.235076
Ser-Val-Arg@7.08
Ser-Val-Arg
ME318724
-
-
7.083
361.219376
Ser-Val-Arg@7.70
Ser-Val-Arg
ME318725
-
-
7.703
361.219376
SM(d35:1)@13.14
SM 35:1;O2
ME318726
-
-
13.136
717.589976
SM(d35:1)@13.22
SM 35:1;O2
ME318727
-
-
13.221
717.590776
SM(d36:2)
SM 36:2;O2
ME318728
6443882
-
13.106
729.590476
SM(d36:3)
SM 36:3;O2
ME318729
-
-
12.75
727.575576
SM(d40:1)
SM 40:1;O2
ME318730
-
-
15.346
787.668776
SM(d40:2)
SM 40:2;O2
ME318731
-
-
14.453
785.654976
sn-Glycero-3-phosphocholine @10.89
sn-Glycero-3-phosphocholine
ME318534
-
-
10.894
258.110076
sn-Glycero-3-phosphocholine @11.05
sn-Glycero-3-phosphocholine
ME318535
-
-
11.046
258.110076
sn-Glycero-3-phosphocholine @11.16
sn-Glycero-3-phosphocholine
ME318536
-
-
11.161
258.110076
sn-Glycero-3-phosphocholine @11.48
sn-Glycero-3-phosphocholine
ME318537
-
-
11.475
258.110076
Spectinomycin
Spectinomycin
ME318733
-
-
9.047
333.165676
sphinganine (C16)
C16 Sphinganine
ME318734
-
-
8.806
274.274376
Thr-Ala-Arg
Thr-Ala-Arg
ME318737
-
-
6.444
347.203776
tris(2-butoxyethyl)phosphate
-
ME318739
-
-
10.447
399.250576
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,3-Benzenediol
-
ME318742
-
-
4.2300
109.029524
2-hydroxy-3-methylbutyrate
2-Hydroxy-3-methylbutyric acid
ME318743
-
-
3.6380
117.055724
2-Hydroxystearic acid
2-Hydroxystearic acid
ME318744
-
-
11.5640
299.259224
2-tert-Butyl-1,4-benzenediol
-
ME318745
-
-
6.0690
165.092124
3,4-dihydroxybenzoate
Protocatechuic acid
ME318746
-
-
4.2250
153.019324
3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucu...
-
ME318747
-
-
9.8240
495.296324
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME318748
-
-
8.5140
239.092524
3-hydroxybutyrate
3-Hydroxybutyric acid
ME318749
-
-
2.1150
103.040024
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME318750
-
-
4.1670
129.055724
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME318751
-
-
4.5210
121.029524
4-Hydroxybenzenesulfonic acid
4-Hydroxybenzenesulfonic acid
ME318752
-
-
3.3190
172.991424
5-Isopropyl-2-methylphenol
-
ME318753
-
-
7.4880
149.097224
Acenocoumarol@7.11
Acenocoumarol
ME318754
-
-
7.1070
352.082624
Acenocoumarol@7.27
Acenocoumarol
ME318755
-
-
7.2740
352.082624
Adenine
Adenine
ME318756
-
-
3.7070
134.047224
alpha-N-phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME318757
-
-
4.4680
263.103724
alpha-tocopherol
alpha-Tocopherol
ME318758
-
-
13.3240
429.373124
androsterone sulfate@8.66
5alpha-Androstane-3alpha-ol-17-one sulfate
ME318759
-
-
8.6610
369.174124
androsterone sulfate@9.06
5alpha-Androstane-3alpha-ol-17-one sulfate
ME318760
-
-
9.0630
369.174024
androsterone sulfate@9.16
5alpha-Androstane-3alpha-ol-17-one sulfate
ME318761
-
-
9.1630
369.175124
aspirin
Aspirin
ME318762
-
-
6.7660
179.034624
BRANCHED FATTY ACIDS (C16H32O2)@10.99
-
ME318763
-
-
10.9950
255.232924
BRANCHED FATTY ACIDS (C16H32O2)@11.11
-
ME318764
-
-
11.1110
255.232924
BRANCHED FATTY ACIDS (C16H32O2)@13.43
-
ME318765
-
-
13.4310
255.232924
Buprenorphine
Buprenorphine
ME318766
-
-
10.8810
466.296324
C24 BILE ACIDS, ALCOHOLS, AND DERIVATIVES (C24H40O...
-
ME318767
-
-
11.1640
391.285424
C24 BILE ACIDS, ALCOHOLS, AND DERIVATIVES (C24H40O...
-
ME318768
-
-
11.2940
391.285424
Cer(d34:0)
Cer 34:0;O2
ME318769
-
-
13.4070
538.520424
Cer(d42:2)
Cer 42:2;O2
ME318770
-
-
16.3660
646.614324
chenodeoxycholate
Chenodeoxycholic acid
ME318771
-
-
10.5840
391.285424
cholate
Cholic acid
ME318772
-
-
10.0900
407.280524
dehydroepiandrosterone sulfate
Dehydroepiandrosterone sulfate
ME318773
-
-
8.4160
367.159624
deoxycholate
Deoxycholic acid
ME318774
-
-
10.6540
391.285424
Dextrothyroxine
-
ME318775
-
-
8.5480
775.679424
epibrassinolide+HCOOH
24-epi-Brassinolide
ME318776
-
-
9.7290
525.342624
Ethylparaben
Ethylparaben
ME318777
-
-
5.7690
165.055724
FA(10:0-COOH)
Sebacic acid
ME318778
-
-
7.5090
201.113224
FA(10:0-OH)@8.80
Hydroxydecanoic acid
ME318779
-
-
8.7960
187.133924
FA(10:0-OH)@9.14
Hydroxydecanoic acid
ME318780
-
-
9.1380
187.133924
FA(11:0-COOH)
Dodecanedioic acid
ME318781
-
-
8.1880
215.129224
FA(12:0)
Lauric acid
ME318782
-
-
10.7410
199.170524
FA(12:0-OH)@9.51
Hydroxydodecanoic acid
ME318783
-
-
9.5080
215.165424
FA(12:0-OH)@9.84
Hydroxydodecanoic acid
ME318784
-
-
9.8350
215.165224
FA(14:0)
Myristic acid
ME318785
-
-
11.2360
227.201824
FA(14:0-OH)@10.15
Hydroxytetradecanoic acid
ME318786
-
-
10.1450
243.196724
FA(14:0-OH)@10.55
Hydroxytetradecanoic acid
ME318787
-
-
10.5510
243.196724
FA(14:0-OH)@10.74
Hydroxytetradecanoic acid
ME318788
-
-
10.7360
243.196724
FA(14:1)@10.92
Tetradecenoic acid
ME318789
-
-
10.9190
225.186024
FA(14:1)@10.98
Tetradecenoic acid
ME318790
-
-
10.9780
225.186024
FA(14:2)
Tetradecadienoic acid
ME318791
-
-
10.6700
223.170224
FA(15:0)
Pentadecylic acid
ME318792
-
-
11.3660
241.217324
FA(16:0)
Palmitic acid
ME318796
-
-
11.6190
255.233724
FA(16:0-COOH)@10.19
Heptadecanedioic acid
ME318797
-
-
10.1890
285.207024
FA(16:0-COOH)@10.34
Heptadecanedioic acid
ME318798
-
-
10.3390
285.207124
FA(16:0(OH))@10.44
Hydroxyhexadecanoic acid
ME318793
-
-
10.4420
271.227824
FA(16:0(OH))@10.57
Hydroxyhexadecanoic acid
ME318794
-
-
10.5740
271.227824
FA(16:0(OH))@10.74
Hydroxyhexadecanoic acid
ME318795
-
-
10.7420
271.227824
FA(16:0-OH)@10.88
Hydroxyhexadecanoic acid
ME318799
-
-
10.8750
271.227824
FA(16:0-OH)@11.06
Hydroxyhexadecanoic acid
ME318800
-
-
11.0620
271.227824
FA(16:0-OH)@11.20
Hydroxyhexadecanoic acid
ME318801
-
-
11.2030
271.228324
FA(16:1)
Hexadecenoic acid
ME318802
-
-
11.3490
253.217824
FA(17:0)@11.63
Margaric acid
ME318803
-
-
11.6280
269.248624
FA(17:0)@11.80
Margaric acid
ME318804
-
-
11.7960
269.248624
FA(18:0)
Stearic acid
ME318806
-
-
11.9830
283.265024
FA(18:0(Ep))
-
ME318805
-
-
10.6920
297.243524
FA(18:1)@11.08
Octadecenoic acid
ME318808
-
-
11.0780
281.248624
FA(18:1)@11.21
Octadecenoic acid
ME318809
-
-
11.2140
281.248624
FA(18:1)@11.70
Octadecenoic acid
ME318807
-
-
11.7010
281.249624
FA(18:1)@13.77
Octadecenoic acid
ME318810
-
-
13.7720
281.248624
FA(18:2)@10.83
Octadecadienoic acid
ME318814
-
-
10.8340
279.232924
FA(18:2)@10.95
Octadecadienoic acid
ME318815
-
-
10.9460
279.232924
FA(18:2)@11.48
Octadecadienoic acid
ME318813
-
-
11.4760
279.233924
FA(18:2(OH))@10.49
Hydroxyoctadecadienoic acid
ME318811
-
-
10.4860
295.227824
FA(18:2(OH))@10.65
Hydroxyoctadecadienoic acid
ME318812
-
-
10.6500
295.227824
FA(18:3)
Octadecatrienoic acid
ME318816
-
-
11.2820
277.217324
FA(18:4)
Octadecatetraenoic acid
ME318817
-
-
11.0730
275.201524
FA(19:1)
Nonadecenoic acid
ME318818
-
-
11.8720
295.264224
FA(20:0)@12.06
Arachidic acid
ME318819
-
-
12.0590
311.295524
FA(20:0)@12.41
Arachidic acid
ME318820
-
-
12.4060
311.295524
FA(20:1)
Eicosenoic acid
ME318821
-
-
12.1410
309.279924
FA(20:2)
Eicosadienoic acid
ME318822
-
-
11.8120
307.264224
FA(20:3)@11.02
Eicosatrienoic acid
ME318825
-
-
11.0170
305.248624
FA(20:3)@11.13
Eicosatrienoic acid
ME318826
-
-
11.1340
305.248624
FA(20:3)@11.61
Eicosatrienoic acid
ME318824
-
-
11.6100
305.248624
FA(20:3(OH2))
-
ME318823
-
-
10.6440
337.238424
FA(20:4)@10.83
Arachidonic acid
ME318828
-
-
10.8270
303.232924
FA(20:4)@10.92
Arachidonic acid
ME318829
-
-
10.9220
303.232924
FA(20:4)@11.46
Arachidonic acid
ME318827
-
-
11.4580
303.232924
FA(20:4)@13.38
Arachidonic acid
ME318830
-
-
13.3840
303.232924
FA(20:4)@13.52
Arachidonic acid
ME318831
-
-
13.5200
303.232924
FA(20:5(5Z,8Z,11Z,14Z,17Z)))
DPA
ME318832
-
-
11.2660
301.217324
FA(22:0)
Behenic acid
ME318833
-
-
12.9260
339.326324
FA(22:1)
Docosenoic acid
ME318834
-
-
12.4730
337.311224
FA(22:3)
Docosatrienoic acid
ME318835
-
-
11.9410
333.279224
FA(22:4)
Docosatetraenoic acid
ME318836
-
-
11.7340
331.264324
FA(22:5)@11.55
Docosapentaenoic acid
ME318837
-
-
11.5520
329.248624
FA(22:5)@11.62
Docosapentaenoic acid
ME318838
-
-
11.6170
329.248624
FA(22:6(4Z,7Z,10Z,16Z,19Z))
DHA
ME318839
-
-
11.4360
327.232924
FA(23:0)
Tricosylic acid
ME318840
-
-
12.8780
353.342524
FA(24:0)
Lignoceric acid
ME318841
-
-
13.6090
367.358124
FA(24:1)
Tetracosenoic acid
ME318842
-
-
13.0000
365.342524
FA(26:0)
Cerotic acid
ME318843
-
-
13.8800
395.389424
FA(8:0-OH)
Hydroxyoctanoic acid
ME318844
-
-
7.1970
159.102624
FA(9:0-COOH)
Azelaic acid
ME318845
-
-
6.7100
187.097624
gamma-glutamylleucine
gamma-Glutamylleucine
ME318846
-
-
4.1810
259.129924
gibberellic acid
Gibberellin A3
ME318847
-
-
5.7200
345.134624
glutamine
Glutamine
ME318848
-
-
0.6380
145.061824
GLYCINE CONJUGATES (C26H43NO6)@8.61
-
ME318849
-
-
8.6140
464.301724
GLYCINE CONJUGATES (C26H43NO6)@8.75
-
ME318850
-
-
8.7500
464.301724
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME318851
-
-
10.0420
448.307724
glycocholate
Glycocholic acid
ME318852
-
-
9.5570
464.301724
glycodeoxycholate
Glycodeoxycholic acid
ME318853
-
-
10.1770
448.306824
glycohyocholate
Glycohyocholic acid
ME318854
-
-
9.1250
464.301424
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME318855
-
-
9.1070
448.307024
hippurate
Hippuric acid
ME318856
-
-
4.3400
178.050924
histidine
Histidine
ME318857
-
-
0.6170
154.062224
hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME318858
-
-
3.6900
181.050624
hyodeoxycholate@10.12
Hyodeoxycholic acid
ME318860
-
-
10.1190
391.285424
hyodeoxycholate@9.98
Hyodeoxycholic acid
ME318859
-
-
9.9800
391.285424
Hypoxanthine
Hypoxanthine
ME318861
-
-
2.5020
135.031224
Indoleacetaldehyde
Indoleacetaldehyde
ME318863
-
-
5.5020
158.061124
indole lactate
Indolelactic acid
ME318862
-
-
5.5020
204.065524
Indoxyl sulfate
Indoxyl sulfate
ME318864
-
-
3.5440
212.002324
Inosine
Inosine
ME318865
-
-
2.4990
267.073524
ketoleucine
Ketoleucine
ME318866
-
-
4.4100
129.055724
kynurenate
Kynurenic acid
ME318867
-
-
4.3610
188.035324
lactate
Lactic acid
ME318868
-
-
0.7000
89.024424
Lauryl sulfate
-
ME318869
-
-
11.2510
265.147924
L-Glutamine
Glutamine
ME318870
-
-
4.4670
145.061824
lithocholate
Lithocholic acid
ME318871
-
-
10.8940
375.289324
lithocholate glycine conjugate
Glycolithocholic acid
ME318872
-
-
10.3020
432.312024
L-Lactic acid@1.02
Lactic acid
ME318873
-
-
1.0200
89.024424
L-Leucine
Leucine
ME318874
-
-
1.9340
130.087324
Lys-Phe-Tyr
Lys-Phe-Tyr
ME318875
-
-
9.2110
455.230024
methyl-3-hydroxybenzoate
Methyl 3-hydroxybenzoate
ME318876
-
-
4.7780
151.040024
m-hydroxybenzoic acid
3-Hydroxybenzoic acid
ME318877
-
-
6.1190
137.024424
N-ACETYLLEUCINE@3.71
N-Acetylleucine
ME318878
-
-
3.7050
172.097924
omega-muricholate
omega-Muricholic acid
ME318879
-
-
9.8310
407.280324
p-Cresol@4.51
P-Cresol
ME318880
-
-
4.5050
107.050224
p-Cresol@4.64
P-Cresol
ME318881
-
-
4.6430
107.050224
Perfluorooctanesulfonic acid
Perfluorooctanesulfonic acid
ME318882
-
-
10.0320
498.930224
phenylalanine
Phenylalanine
ME318883
-
-
3.1870
164.071724
pregnanolone sulphate
-
ME318884
-
-
9.1910
397.205424
pregnenolone sulfate
Pregnenolone sulfate
ME318885
-
-
9.4070
395.189724
PROSTAGLANDINS (C23H32O5)
-
ME318886
-
-
10.7350
387.217724
retinoate@11.10
Retinoic acid
ME318887
-
-
11.1030
299.202424
retinoate@11.28
Retinoic acid
ME318888
-
-
11.2830
299.201624
sphingosine-1P (C18)
Sphingosine 1-phosphate
ME318889
-
-
10.6740
378.242024
SULFATES (C19H28O5S)
-
ME318890
-
-
9.1370
367.158424
SULFATES (C19H30O5S)
-
ME318891
-
-
8.0840
369.174124
tauro-alpha-muricholate + tauro-beta-muricholiate
Tauromuricholic acid
ME318892
-
-
8.4100
514.284424
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME318893
-
-
8.5150
514.284424
taurocholate
Taurocholic acid
ME318894
-
-
9.6530
514.284424
taurodeoxycholate
Taurodeoxycholic acid
ME318895
-
-
10.4060
498.289524
tryptophan
Tryptophan
ME318896
-
-
3.6790
203.083024
urate
Uric acid
ME318897
-
-
1.2650
167.021024
ursodeoxycholate
Ursodeoxycholic acid
ME318898
-
-
9.7780
391.285424
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