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Return to study ST001680 main page
Analysis: Normal phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
18-HETE
18-HETE
ME391411
-
-
-
-
Indole-3-Acetamide
1H-Indole-3-acetamide
ME391536
-
-
-
-
Pyrazole
1H-pyrazole
ME391649
-
-
-
-
1-methyl-nicotinamide
1-Methyl nicotinamide
ME391415
-
-
-
-
2,3-Dinor-thromboxane B2
2,3-Dinor-TXB2
ME391421
-
-
-
-
2,6-Dihydroxypyridine
2,6-Dihydroxypyridine
ME391422
-
-
-
-
Phenylethanolamine
2-Hydroxyphenethylamine
ME391627
-
-
-
-
HMG-CoA
3-Hydroxy-3-methylglutaryl-CoA
ME391534
-
-
-
-
3-Methylhistamine
3-Methylhistamine
ME391430
-
-
-
-
3-Methylhistidine
3-Methylhistidine
ME391431
-
-
-
-
1,3-Bisphosphoglyceric acid
3-Phospho-D-glyceroyl dihydrogen phosphate
ME391408
-
-
-
-
4-Acetamidobutanoic Acid
4-Acetamidobutanoic acid
ME391434
-
-
-
-
4-Guanidinobutyric Acid
4-Guanidinobutanoic acid
ME391436
-
-
-
-
4-Oxoproline
4-Oxo-proline
ME391439
-
-
-
-
5,10-Methenyltetrahydrofolate
5,10-Methenyl-THF
ME391440
-
-
-
-
5-Hydroxyindole-3-acetic Acid (5HIAA)
5-Hydroxyindoleacetic acid
ME391446
-
-
-
-
5-Methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME391448
-
-
-
-
5-Methylcytosine
5-Methylcytosine
ME391449
-
-
-
-
Adenine
Adenine
ME391451
-
-
-
-
ADP
ADP
ME391452
-
-
-
-
ADP-Glucose
ADP-glucose
ME391453
-
-
-
-
ADP-Ribose
ADP-ribose
ME391454
-
-
-
-
Alanine
Alanine
ME391455
-
-
-
-
Ala-Tyr
Ala-Tyr
ME391456
-
-
-
-
Retinyl Palmitate
All-trans-retinyl palmitate
ME391654
-
-
-
-
Allysine
Allysine
ME391459
-
-
-
-
Anserine
Anserine
ME391460
-
-
-
-
Arginine
Arginine
ME391461
-
-
-
-
Asparagine
Asparagine
ME391464
-
-
-
-
Aspartic Acid
Aspartic acid
ME391465
-
-
-
-
Aspartyl glutamic acid
Asp-Glu
ME391466
-
-
-
-
Benzylamine
Benzylamine
ME391467
-
-
-
-
Beta-Alanine
beta-Alanine
ME391468
-
-
-
-
Beta-Carotene
beta-Carotene
ME391469
-
-
-
-
Biliverdin
Biliverdin
ME391470
-
-
-
-
Butyryl-CoA
Butyryl-CoA
ME391472
-
-
-
-
Decadienoylcarnitine (C10:2)
CAR 10:2
ME391492
-
-
-
-
Dodecanoylcarnitine (C12:0)
CAR 12:0
ME391498
-
-
-
-
Tetradecenoylcarnitine (C14:1)
CAR 14:1
ME391671
-
-
-
-
Palmitoylcarnitine (C16:0)
CAR 16:0
ME391606
-
-
-
-
Stearoylcarnitine (C18:0)
CAR 18:0
ME391666
-
-
-
-
Oleoylcarnitine (C18:1)
CAR 18:1
ME391601
-
-
-
-
Linoleyl carnitine
CAR 18:2
ME391547
-
-
-
-
Acetylcarnitine (C2:0)
CAR 2:0
ME391450
-
-
-
-
Propionylcarnitine (C3:0)
CAR 3:0
ME391639
-
-
-
-
isobutyrylCarnitine
CAR 3:0;2Me
ME391539
-
-
-
-
isovaleryl carnitine
CAR 4:0;3Me
ME391541
-
-
-
-
3-hydroxybutyrylcarnitine
CAR 4:0;3OH
ME391427
-
-
-
-
Butenylcarnitine
CAR 4:1
ME391471
-
-
-
-
Valerylcarnitine
CAR 5:0
ME391687
-
-
-
-
Hexanoylcarnitine (C6:0)
CAR 6:0
ME391531
-
-
-
-
Octanoylcarnitine (C8:0)
CAR 8:0
ME391600
-
-
-
-
malonylcarnitine
CAR DC3:0
ME391562
-
-
-
-
Carnitine
Carnitine
ME391473
-
-
-
-
Cytidine diphosphate (CDP)
CDP
ME391489
-
-
-
-
Cytidine diphosphate choline (CDPcholine)
CDP-choline
ME391490
-
-
-
-
CDP ethanolamine
CDP-Ethanolamine
ME391474
-
-
-
-
Chenodeoxycholate
Chenodeoxycholic acid
ME391475
-
-
-
-
Cholesteryl Acetate
Cholesteryl acetate
ME391476
-
-
-
-
Choline
Choline
ME391477
-
-
-
-
Phosphocholine
Choline phosphate
ME391629
-
-
-
-
cis-4-Hydroxyproline
cis-4-Hydroxyproline
ME391479
-
-
-
-
5'-CMP
CMP
ME391445
-
-
-
-
Creatine
Creatine
ME391482
-
-
-
-
Creatinine
Creatinine
ME391483
-
-
-
-
CTP
CTP
ME391484
-
-
-
-
CysGly
Cys-Gly
ME391485
-
-
-
-
Cysteamine
Cysteamine
ME391486
-
-
-
-
Cystine
Cystine
ME391487
-
-
-
-
Cytidine
Cytidine
ME391488
-
-
-
-
Cytosine
Cytosine
ME391491
-
-
-
-
3-Sulfodeoxycholic acid
Deoxycholic acid 3-sulfate
ME391432
-
-
-
-
Deoxycytidine
Deoxycytidine
ME391494
-
-
-
-
Diethanolamine
Diethanolamine
ME391497
-
-
-
-
L-DOPA
DOPA
ME391546
-
-
-
-
Dopamine
Dopamine
ME391499
-
-
-
-
Deoxythymidine 5'-diphosphate (dTDP)
dTDP
ME391495
-
-
-
-
dUMP
dUMP
ME391500
-
-
-
-
D-Urobilinogen
D-Urobilinogen
ME391501
-
-
-
-
Epinephrine
Epinephrine
ME391502
-
-
-
-
Ergothioneine
Ergothioneine
ME391503
-
-
-
-
Erythritol
Erythritol
ME391504
-
-
-
-
Ethanolamine
Ethanolamine
ME391505
-
-
-
-
Ethyl-3-Indole-Acetate
Ethyl 3-indoleacetate
ME391506
-
-
-
-
FGAM
FGAM
ME391508
-
-
-
-
FGAR
FGAR
ME391509
-
-
-
-
D-Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME391496
-
-
-
-
4-Aminobutanoic Acid (GABA)
gamma-Aminobutyric acid
ME391435
-
-
-
-
GDP-Glucose
GDP-glucose
ME391510
-
-
-
-
GDP-Mannose
GDP-mannose
ME391511
-
-
-
-
Geranylgeranyl pyrophosphate
Geranylgeranyl diphosphate
ME391512
-
-
-
-
GluCyS
Glu-Cys
ME391513
-
-
-
-
Glutamic Acid
Glutamic acid
ME391515
-
-
-
-
Glutamine
Glutamine
ME391516
-
-
-
-
GSH
Glutathione
ME391526
-
-
-
-
Glyceric acid
Glyceric acid
ME391518
-
-
-
-
Glycerol 1-phosphoserine
Glycerol 1-phosphoserine
ME391519
-
-
-
-
glycochenodeoxycholic acid 3-glucuronide
Glycochenodeoxycholic acid 3-glucuronide
ME391521
-
-
-
-
Glycocholic Acid
Glycocholic acid
ME391522
-
-
-
-
GMP
GMP
ME391525
-
-
-
-
GTP
GTP
ME391528
-
-
-
-
N-AMIDINO-ASPARTATE (Guanidinosuccinic acid)
Guanidinosuccinic acid
ME391586
-
-
-
-
Guanidinoacetic Acid
Guanidoacetic acid
ME391529
-
-
-
-
Histamine
Histamine
ME391532
-
-
-
-
Histidine
Histidine
ME391533
-
-
-
-
hydroxyadipic acid
Hydroxyadipic acid
ME391535
-
-
-
-
3-Hydroxykynurenine
Hydroxykynurenine
ME391428
-
-
-
-
3-Indoleacetic Acid (IAA)
Indoleacetic acid
ME391429
-
-
-
-
Inosine
Inosine
ME391538
-
-
-
-
Isoleucine
Isoleucine
ME391540
-
-
-
-
Kynurenine
Kynurenine
ME391542
-
-
-
-
Lactobionic Acid
Lactobionic acid
ME391543
-
-
-
-
Lanthionine
Lanthionine
ME391545
-
-
-
-
LysoPC(15:0)
LPC 15:0
ME391550
-
-
-
-
LysoPC(16:0)
LPC 16:0
ME391551
-
-
-
-
LysoPC(17:0)
LPC 17:0
ME391552
-
-
-
-
LysoPC(18:0)
LPC 18:0
ME391553
-
-
-
-
LysoPC(18:1)
LPC 18:1
ME391554
-
-
-
-
1-Linoleoylglycerophosphocholine
LPC 18:2
ME391414
-
-
-
-
LysoPC(20:5)
LPC 20:5
ME391555
-
-
-
-
LysoPC(22:0)
LPC 22:0
ME391556
-
-
-
-
1-palmitoyl-glycerophosphoethanolamine
LPE 16:0
ME391419
-
-
-
-
LysoPE(16:0)
LPE 16:0
ME391557
-
-
-
-
LysoPE(18:2)
LPE 18:2
ME391558
-
-
-
-
LysoPE(20:3)
LPE 20:3
ME391559
-
-
-
-
LysoPE(20:4)
LPE 20:4
ME391560
-
-
-
-
LysoPE(22:5)
LPE 22:5
ME391561
-
-
-
-
1-Oleoylglycerophosphoserine
LPS 18:1/0:0
ME391417
-
-
-
-
Lysine
Lysine
ME391549
-
-
-
-
Melibiose
Melibiose
ME391563
-
-
-
-
Methyladenine
Methyladenine
ME391565
-
-
-
-
Methylmalonic acid
Methylmalonic acid
ME391566
-
-
-
-
Methyluridine
Methyluridine
ME391567
-
-
-
-
1-Monomyristin
MG 14:0
ME391416
-
-
-
-
2-Arachidonoylglycerol
MG 20:4
ME391423
-
-
-
-
N1-Acetylspermidine
N1-Acetylspermidine
ME391571
-
-
-
-
N-Acetylalanine
N-Acetylalanine
ME391573
-
-
-
-
N-Acetylaspartic Acid
N-Acetylaspartic acid
ME391574
-
-
-
-
N-acetylaspartylglutamate
N-Acetyl-Asp-Glu
ME391575
-
-
-
-
N-Acetylglutamine
N-Acetylglutamine
ME391576
-
-
-
-
N-Acetylmethionine
N-Acetylmethionine
ME391577
-
-
-
-
N-Acetylmuramic acid
N-Acetylmuramic acid
ME391578
-
-
-
-
N-acetyl-ornithine
N-Acetylornithine
ME391579
-
-
-
-
N-Acetylserotonin
N-Acetylserotonin
ME391580
-
-
-
-
N-Acetyltryptophan
N-Acetyl-tryptophan
ME391581
-
-
-
-
NAD
NAD+
ME391582
-
-
-
-
NADH
NADH
ME391583
-
-
-
-
NADP
NADP+
ME391584
-
-
-
-
NADPH
NADPH
ME391585
-
-
-
-
Neopterin
Neopterin
ME391587
-
-
-
-
N-Formylglycine
N-Formylglycine
ME391588
-
-
-
-
Nicotinamide N-oxide
Nicotinamide N-oxide
ME391592
-
-
-
-
Nicotinamide Mononucleotide
Nicotinamide ribotide
ME391591
-
-
-
-
nicotine
Nicotine
ME391593
-
-
-
-
N-Linoleoylglycine
N-linoleoylglycine
ME391595
-
-
-
-
N-Methyltryptamine
N-Methyltryptamine
ME391597
-
-
-
-
Normetanephrine
Normetanephrine
ME391599
-
-
-
-
Ornithine
Ornithine
ME391603
-
-
-
-
Orotidine
Orotidine
ME391604
-
-
-
-
GSSG
Oxidized glutathione
ME391527
-
-
-
-
PC(14:1)
PC 14:1
ME391608
-
-
-
-
1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine
PC 16:0/18:1
ME391418
-
-
-
-
PC(32:0)
PC 32:0
ME391609
-
-
-
-
PC(34:2)
PC 34:2
ME391610
-
-
-
-
PC(34:5)
PC 34:5
ME391611
-
-
-
-
PC(34:6)
PC 34:6
ME391612
-
-
-
-
PC(35:2)
PC 35:2
ME391613
-
-
-
-
PC(36:1)
PC 36:1
ME391614
-
-
-
-
PC(36:4)
PC 36:4
ME391615
-
-
-
-
PC(36:6)
PC 36:6
ME391616
-
-
-
-
PC(37:5)
PC 37:5
ME391617
-
-
-
-
PC(37:6)
PC 37:6
ME391618
-
-
-
-
PC(38:4)
PC 38:4
ME391619
-
-
-
-
PC(42:8)
PC 42:8
ME391620
-
-
-
-
PC(42:9)
PC 42:9
ME391621
-
-
-
-
PC(O-16:0/20:5)
PC O-16:0/20:5
ME391622
-
-
-
-
PE(34:4)
PE 34:4
ME391623
-
-
-
-
PE(36:6)
PE 36:6
ME391624
-
-
-
-
PGP(38:3)
PG P-38:3
ME391625
-
-
-
-
Phenylacetylglycine
Phenylacetylglycine
ME391626
-
-
-
-
2-Phenethylamine
Phenylethylamine
ME391425
-
-
-
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME391630
-
-
-
-
O-phosphoethanolamine
Phosphoethanolamine
ME391602
-
-
-
-
Phosphoric acid
Phosphoric acid
ME391633
-
-
-
-
Phylloquinone
Phylloquinone
ME391634
-
-
-
-
Phytosphingosine
Phytosphingosine
ME391635
-
-
-
-
PIP(38:4)
PI P-38:4
ME391636
-
-
-
-
Proline
Proline
ME391637
-
-
-
-
Proline betaine
Proline betaine
ME391638
-
-
-
-
propionylcholine
Propionylcholine
ME391640
-
-
-
-
Propionyl-CoA
Propionyl-CoA
ME391641
-
-
-
-
Protoporphyrin
Protoporphyrin
ME391642
-
-
-
-
PS(21:0/14:0)
PS 21:0/14:0*
ME391643
-
-
-
-
PS(34:2)
PS 34:2
ME391644
-
-
-
-
PS(35:1)
PS 35:1
ME391645
-
-
-
-
PS(36:4)
PS 36:4
ME391646
-
-
-
-
Pterin
Pterin
ME391647
-
-
-
-
Putrescine
Putrescine
ME391648
-
-
-
-
Pyridoxal
Pyridoxal
ME391650
-
-
-
-
Pyridoxamine (Vitamin B6)
Pyridoxamine
ME391651
-
-
-
-
Pyridoxine
Pyridoxine
ME391652
-
-
-
-
all-trans Retinal
Retinal
ME391458
-
-
-
-
Riboflavin (Vitamin B2)
Riboflavin
ME391655
-
-
-
-
Rosmarinic Acid
Rosmarinic acid
ME391656
-
-
-
-
S-Adenosylmethionine (SAM)
S-Adenosylmethionine
ME391658
-
-
-
-
tetrahydrobiopterin (H4B)
Sapropterin
ME391672
-
-
-
-
Sarcosine (N-methylglycine)
Sarcosine
ME391659
-
-
-
-
Serine
Serine
ME391660
-
-
-
-
Serotonin
Serotonin
ME391661
-
-
-
-
Glycerylphosphorylethanolamine
sn-Glycero-3-phosphoethanolamine
ME391520
-
-
-
-
Spermidine
Spermidine
ME391662
-
-
-
-
Spermine
Spermine
ME391663
-
-
-
-
Sphingosine
Sphingosine
ME391665
-
-
-
-
Taurine
Taurine
ME391668
-
-
-
-
Taurodeoxycholate
Taurodeoxycholic acid
ME391669
-
-
-
-
Taurolithocholic Acid
Taurolithocholic acid
ME391670
-
-
-
-
Thiamine (Vitamin B1)
Thiamine
ME391673
-
-
-
-
Thiamine Monophosphate
Thiamine monophosphate
ME391674
-
-
-
-
Thioetheramide-PC
Thioetheramide PC
ME391675
-
-
-
-
Ferulic Acid
trans-Ferulic acid
ME391507
-
-
-
-
N-Methylnicotinate
Trigonelline
ME391596
-
-
-
-
Trimethylamine
Trimethylamine
ME391677
-
-
-
-
Trimethylamine N-oxide
Trimethylamine N-oxide
ME391678
-
-
-
-
Tryptamine
Tryptamine
ME391679
-
-
-
-
Tryptophan
Tryptophan
ME391680
-
-
-
-
Tyrosine
Tyrosine
ME391681
-
-
-
-
UDP-N-Acetylgalactosamine
UDP-N-acetylgalactosamine
ME391682
-
-
-
-
UDP-N-Acetylglucosamine
UDP-N-acetylglucosamine
ME391683
-
-
-
-
Urea
Urea
ME391684
-
-
-
-
Urocanic acid
Urocanic acid
ME391685
-
-
-
-
Valeric Acid
Valeric acid
ME391686
-
-
-
-
Ascorbic acid
Vitamin C
ME391463
-
-
-
-
Xanthine
Xanthine
ME391688
-
-
-
-
xylulose-5-phosphate
Xylulose 5-phosphate
ME391689
-
-
-
-
1,2-Dipalmitin
-
ME391407
-
-
-
-
16:0 Lyso PA
-
ME391409
-
-
-
-
16:0 Lyso PG
-
ME391410
-
-
-
-
1α,25-dihydroxy-23-thiavitamin D3
-
ME391412
-
-
-
-
1-Lauroyl-rac-glycerol
-
ME391413
-
-
-
-
1-Phosphatidyl-D-myo-inositol
-
ME391420
-
-
-
-
2-DCHA-PAF
-
ME391424
-
-
-
-
3',5'-cGMP
-
ME391426
-
-
-
-
3-Ureidopropionic Acid/N-Carbamoyl-beta-alanine
-
ME391433
-
-
-
-
4-hydroxynonenal Glutathione
-
ME391437
-
-
-
-
4-Hydroxyphenylretinamide
-
ME391438
-
-
-
-
5,6-2H-5-methyluracil-(TH2)
-
ME391441
-
-
-
-
5a-Allotetrahydrocortisol
-
ME391442
-
-
-
-
5-Aminoimidazol ribonucleotide (AIR)
-
ME391443
-
-
-
-
5-Aminopentanoate/5-Aminovaleric Acid
-
ME391444
-
-
-
-
5-Methoxytryptamine/O-methylserotonin
-
ME391447
-
-
-
-
alfa-Methyl-L-tyrosine
-
ME391457
-
-
-
-
Arotinoid Acid
-
ME391462
-
-
-
-
Ciglitazone
-
ME391478
-
-
-
-
CoA-SSH
-
ME391480
-
-
-
-
Coenzyme M-SSH
-
ME391481
-
-
-
-
Deoxycarnitine/gamma-butyrobetaine
-
ME391493
-
-
-
-
GluCyS-SSH
-
ME391514
-
-
-
-
Glu-Thr-Val-His
-
ME391517
-
-
-
-
Glycosyl -Glutamic Acid
-
ME391523
-
-
-
-
Glycosyl -Glutamine
-
ME391524
-
-
-
-
HCyS-SCy
-
ME391530
-
-
-
-
Indoxyl 1,3-diacetate
-
ME391537
-
-
-
-
L-a-Lysophosphatidylserine
-
ME391544
-
-
-
-
Lithocholic acid glycine
-
ME391548
-
-
-
-
MethionineS=O
-
ME391564
-
-
-
-
Misoprostol
-
ME391568
-
-
-
-
N(4)-Acetylcytosine
-
ME391569
-
-
-
-
N5-Formyltetrahydrofolate (5-F-THF)
-
ME391572
-
-
-
-
NG-methyl-Arginine
-
ME391589
-
-
-
-
NGNG'-dimethyl-Arginine
-
ME391590
-
-
-
-
nicotinuric acid/Nicotinoylglycine
-
ME391594
-
-
-
-
N',N',N'-Trimethyllysine
-
ME391570
-
-
-
-
Noladin
-
ME391598
-
-
-
-
PAF C18
-
ME391605
-
-
-
-
Pantothenic Acid-VB5
-
ME391607
-
-
-
-
Phosphatidylinositol 3-phosphate
-
ME391628
-
-
-
-
Phosphonoacetic Acid/Acetyl phosphate
-
ME391631
-
-
-
-
Phosphoribosylamine (PRA)
-
ME391632
-
-
-
-
Pyroglutamic Acid/5-oxoprpline
-
ME391653
-
-
-
-
S-(2-succino)cysteine
-
ME391657
-
-
-
-
Sphingomyelin
-
ME391664
-
-
-
-
Taurallocholic acid
-
ME391667
-
-
-
-
Threosone
-
ME391676
-
-
-
-
Analysis: Normal phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
12-HEPE
12-HEPE
ME391692
-
-
-
-
8-epi-Prostaglandin F2a
15-F2t-IsoP
ME391739
-
-
-
-
1,25-Dihydroxyvitamin D3
1alpha,25-Dihydroxyvitamin D3
ME391690
-
-
-
-
1-Pyrroline-2-carboxylic acid
1-Pyrroline-2-carboxylic acid
ME391695
-
-
-
-
1-Pyrroline-5-carboxylic acid
1-Pyrroline-5-carboxylic acid
ME391696
-
-
-
-
2',3'-cyclic CMP
2',3' cyclic CMP
ME391698
-
-
-
-
Orthanilic Acid
2-Aminobenzenesulfonic acid
ME391892
-
-
-
-
2-Aminobutyric Acid
2-Aminobutyric acid
ME391701
-
-
-
-
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME391706
-
-
-
-
2-Hydroxy-glutaric acid
2-Hydroxyglutaric acid
ME391707
-
-
-
-
2-Methylcitric acid
2-Methylcitric acid
ME391708
-
-
-
-
2-Oxoglutaric Acid
2-Oxoglutaric acid
ME391710
-
-
-
-
2-Phosphoglyceric acid
2-Phosphoglyceric acid
ME391711
-
-
-
-
3,4-Dihydroxymandelic Acid
3,4-Dihydroxymandelic acid
ME391713
-
-
-
-
CMPF
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME391766
-
-
-
-
3-Dehydroshikimic Acid
3-Dehydroshikimate
ME391715
-
-
-
-
3-Hydroxyanthranilic Acid
3-Hydroxyanthranilic acid
ME391716
-
-
-
-
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME391717
-
-
-
-
3-Hydroxymethylglutaric Acid
3-Hydroxymethylglutaric acid
ME391718
-
-
-
-
3-Methylcrotonyl CoA
3-Methylbut-2-enoyl-CoA
ME391721
-
-
-
-
3-Phospho-D-glycerate
3-Phosphoglyceric acid
ME391722
-
-
-
-
2-Pyridylacetic acid
3-Pyridylacetic acid
ME391712
-
-
-
-
3'-Sialyllactose
3'-Sialyllactose
ME391724
-
-
-
-
Dihydrobiopterin (BH2)
4a-Carbinolamine tetrahydrobiopterin
ME391796
-
-
-
-
4-Hydroxy-2-oxoglutaric acid
4-Hydroxy-2-oxoglutaric acid
ME391726
-
-
-
-
4-Hydroxyphenylglycine
4-Hydroxyphenylglycine
ME391727
-
-
-
-
5-Acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME391729
-
-
-
-
5'-Deoxyadenosine
5'-Deoxyadenosine
ME391730
-
-
-
-
5-Hydroxymethyluracil
5-Hydroxymethyluracil
ME391732
-
-
-
-
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME391733
-
-
-
-
5-Methylcytidine
5-Methylcytidine
ME391734
-
-
-
-
5-Valerolactone
5-Valerolactone
ME391735
-
-
-
-
6-methyltetrahydropterin
6-Methyltetrahydropterin
ME391736
-
-
-
-
6-Methylthiopurine
6-Methylthiopurine
ME391737
-
-
-
-
6-Phosphogluconic Acid
6-Phosphogluconic acid
ME391738
-
-
-
-
Acetoacetyl-CoA
Acetoacetyl-CoA
ME391740
-
-
-
-
Adenosine
Adenosine
ME391742
-
-
-
-
Adenyl succinicacid
Adenylsuccinic acid
ME391744
-
-
-
-
AICAR
AICAR
ME391745
-
-
-
-
Allantoin
Allantoin
ME391746
-
-
-
-
2-Aminoadipic Acid
alpha-Aminoadipic acid
ME391700
-
-
-
-
2-Aminoisobutyric acid
Aminoisobutyric acid
ME391702
-
-
-
-
AMP
AMP
ME391747
-
-
-
-
D-Arabinose
Arabinose
ME391776
-
-
-
-
Argininosuccinic acid
Argininosuccinic acid
ME391749
-
-
-
-
ATP
ATP
ME391750
-
-
-
-
Benzoic Acid
Benzoic acid
ME391751
-
-
-
-
Betaine
Betaine
ME391753
-
-
-
-
Caffeine
Caffeine
ME391756
-
-
-
-
CAIR
CAIR
ME391757
-
-
-
-
Carbamoyl Phosphate
Carbamoylphosphate
ME391758
-
-
-
-
Carnosine
Carnosine
ME391759
-
-
-
-
CDP-glucose
CDP-glucose
ME391760
-
-
-
-
cis-Aconitic acid
cis-Aconitic acid
ME391761
-
-
-
-
Citraconic Acid
Citraconic acid
ME391762
-
-
-
-
Citric Acid
Citric acid
ME391764
-
-
-
-
Citrulline
Citrulline
ME391765
-
-
-
-
CoA
Coenzyme A
ME391767
-
-
-
-
Cysteic Acid (CySO3H)
Cysteic acid
ME391773
-
-
-
-
Cysteine-S-sulfonic acid
Cysteine-S-sulfate
ME391775
-
-
-
-
dATP
dATP
ME391777
-
-
-
-
dCDP
dCDP
ME391778
-
-
-
-
dCMP
dCMP
ME391779
-
-
-
-
dCTP
dCTP
ME391780
-
-
-
-
decanoyl CoA
Decanoyl-CoA
ME391781
-
-
-
-
2'-Deoxyadenosine
Deoxyadenosine
ME391703
-
-
-
-
2'-Deoxyguanosine
Deoxyguanosine
ME391704
-
-
-
-
Deoxyribose
Deoxyribose
ME391783
-
-
-
-
Diacetyl
Diacetyl
ME391795
-
-
-
-
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME391797
-
-
-
-
Dimethylglycine
Dimethylglycine
ME391798
-
-
-
-
dTDP-Glucose
dTDP-glucose
ME391802
-
-
-
-
dTMP
dTMP
ME391803
-
-
-
-
Deoxythymidine triphosphate (dTTP)
dTTP
ME391784
-
-
-
-
Deoxyuridine Triphosphate (dUTP)
dUTP
ME391785
-
-
-
-
D-Erythrose
Erythrose
ME391786
-
-
-
-
Erythrose 4-phosphate
Erythrose 4-phosphate
ME391804
-
-
-
-
Estradiol-17alpha
Estradiol-17alpha
ME391805
-
-
-
-
Estrone 3-sulfate
Estrone 3-sulfate
ME391806
-
-
-
-
Ethylmalonic Acid
Ethylmalonic acid
ME391807
-
-
-
-
Flavin adenine dinucleotide (FAD)
FAD
ME391808
-
-
-
-
Flavin Mononucleotide (FMN)
FMN
ME391809
-
-
-
-
D-Fructose
Fructose
ME391787
-
-
-
-
D-Fructose 1-phosphate
Fructose 1-phosphate
ME391788
-
-
-
-
D-Fructose 2,6-bisphosphate
Fructose 2,6-bisphosphate
ME391789
-
-
-
-
D-Fructose 6-phosphate
Fructose 6-phosphate
ME391790
-
-
-
-
Fumaric Acid
Fumaric acid
ME391810
-
-
-
-
D-Galactose
Galactose
ME391791
-
-
-
-
Galacturonic Acid
Galacturonic acid
ME391811
-
-
-
-
GDP
GDP
ME391812
-
-
-
-
Geranyl Pyrophosphate
Geranyl diphosphate
ME391813
-
-
-
-
Glucaric acid
Glucaric acid
ME391814
-
-
-
-
Gluconic Acid
Gluconic acid
ME391815
-
-
-
-
Gluconic Lactone
Gluconolactone
ME391816
-
-
-
-
Glucosamine
Glucosamine
ME391817
-
-
-
-
Glucosamine 6-Sulfate
Glucosamine 6-sulfate
ME391818
-
-
-
-
D-Glucose
Glucose
ME391792
-
-
-
-
D-Glucose 6-phosphate
Glucose 6-phosphate
ME391793
-
-
-
-
Glucuronolactone
Glucuronolactone
ME391820
-
-
-
-
D-Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME391794
-
-
-
-
Glycine
Glycine
ME391824
-
-
-
-
glycochenodeoxycholate-3-sulfate
Glycochenodeoxycholic acid 3-sulfate
ME391825
-
-
-
-
glycogen
Glycogen
ME391826
-
-
-
-
Glycolic acid
Glycolic acid
ME391827
-
-
-
-
Homocitric acid
Homocitric acid
ME391832
-
-
-
-
Homoserine
Homoserine
ME391833
-
-
-
-
Hydroxyisobutyric Acid
Hydroxyisobutyric acid
ME391835
-
-
-
-
3-Hydroxypyruvate
Hydroxypyruvic acid
ME391719
-
-
-
-
Hypotaurine
Hypotaurine
ME391836
-
-
-
-
Hypoxanthine
Hypoxanthine
ME391837
-
-
-
-
Inosine diphosphate (IDP)
IDP
ME391839
-
-
-
-
4-Imidazoleacetic Acid
Imidazoleacetic acid
ME391728
-
-
-
-
Inosine 5'-monophosphate (IMP)
IMP
ME391838
-
-
-
-
inositol cyclic phosphate
Inositol cyclic phosphate
ME391841
-
-
-
-
iso-Butyryl-CoA
Isobutyryl-CoA
ME391843
-
-
-
-
Isocitric Acid
Isocitric acid
ME391844
-
-
-
-
Iso-Valeraldehyde
Iso-Valeraldehyde
ME391846
-
-
-
-
Inosine Triphosphate (ITP)
ITP
ME391840
-
-
-
-
Lactic Acid
Lactic acid
ME391847
-
-
-
-
Lactose
Lactose
ME391848
-
-
-
-
Dehydroascorbic acid
L-Dehydroascorbic acid
ME391782
-
-
-
-
Leucine
Leucine
ME391849
-
-
-
-
Lipoic Acid
Lipoic acid
ME391851
-
-
-
-
LysoPC(20:1)
LPC 20:1
ME391854
-
-
-
-
LysoPE(18:3)
LPE 18:3
ME391855
-
-
-
-
Lumichrome
Lumichrome
ME391853
-
-
-
-
Lys-Tyr-Lys
Lys-Tyr-Lys
ME391856
-
-
-
-
Maleic acid
Maleic acid
ME391857
-
-
-
-
Maleimide
Maleimide
ME391858
-
-
-
-
Malic Acid
Malic acid
ME391859
-
-
-
-
Malondialdehyde
Malondialdehyde
ME391860
-
-
-
-
Methionine
Methionine
ME391861
-
-
-
-
Methyladenosine
Methyladenosine
ME391865
-
-
-
-
Methyl beta-D-galactoside
Methyl beta-D-galactoside
ME391862
-
-
-
-
S-Methylcysteine
Methylcysteine
ME391922
-
-
-
-
Methyl Jasmonate
Methyl jasmonate
ME391863
-
-
-
-
Mevalonic Acid
Mevalonic acid
ME391867
-
-
-
-
1-Oleoylglycerol
MG 18:1(9Z)/0:0/0:0
ME391694
-
-
-
-
mono-Methylglutaric Acid
Monomethyl glutaric acid
ME391868
-
-
-
-
myo-Inositol
Myo-inositol
ME391869
-
-
-
-
N-Acetyllysine
N(2)-Acetyllysine
ME391877
-
-
-
-
N6-Methyl-L-lysine
N(6)-Methyllysine
ME391871
-
-
-
-
N-Acetylasparagine
N-Acetylasparagine
ME391872
-
-
-
-
N-Acetylglucosamine
N-Acetyl-D-glucosamine
ME391873
-
-
-
-
N-Acetylglucosamine-1-phosphate
N-Acetyl-D-glucosamine 1-phosphate
ME391874
-
-
-
-
N-Acetylglutamic Acid
N-Acetylglutamic acid
ME391875
-
-
-
-
N-Acetylglycine
N-Acetylglycine
ME391876
-
-
-
-
N-Acetylneuraminic Acid
N-Acetylneuraminic acid
ME391878
-
-
-
-
N-Formylmethionine
N-Formylmethionine
ME391880
-
-
-
-
Nitrotyrosine
Nitrotyrosine
ME391881
-
-
-
-
N-Methyl-L-alanine
N-Methylalanine
ME391883
-
-
-
-
N-Methylglutamic Acid
N-Methyl-glutamic acid
ME391882
-
-
-
-
O-Acetylserine
O-Acetylserine
ME391887
-
-
-
-
Octulose-8-phosphate
Octulose 8-phosphate
ME391888
-
-
-
-
Oleic Acid
Oleic acid
ME391889
-
-
-
-
Ophthalmic Acid
Ophthalmic acid
ME391890
-
-
-
-
O-Succinylhomoserine
o-Succinylhomoserine
ME391893
-
-
-
-
Oxalic Acid
Oxalic acid
ME391894
-
-
-
-
Oxaloacetic Acid
Oxaloacetic acid
ME391895
-
-
-
-
2-Oxoadipic Acid
Oxoadipic acid
ME391709
-
-
-
-
PC(35:4)
PC 35:4
ME391896
-
-
-
-
PC(38:6)
PC 38:6
ME391897
-
-
-
-
PE(36:4)
PE 36:4
ME391898
-
-
-
-
Phenylalanine
Phenylalanine
ME391899
-
-
-
-
Phenylpyruvic Acid
Phenylpyruvic acid
ME391900
-
-
-
-
PI(32:1)
PI 32:1
ME391902
-
-
-
-
PI (38:4)
PI 38:4
ME391901
-
-
-
-
Pipecolinic Acid
Pipecolic acid
ME391903
-
-
-
-
PS(16:0)
PS 16:0
ME391904
-
-
-
-
PS(32:1)
PS 32:1
ME391905
-
-
-
-
Purine
Purine
ME391906
-
-
-
-
Pyridoxal 5-Phosphate
Pyridoxal 5'-phosphate
ME391907
-
-
-
-
Pyrophosphate
Pyrophosphate
ME391908
-
-
-
-
Pyrrole-2-carboxylic Acid
Pyrrole-2-carboxylic acid
ME391909
-
-
-
-
Pyruvate
Pyruvic acid
ME391910
-
-
-
-
Quinoline
Quinoline
ME391911
-
-
-
-
Quinolinic acid
Quinolinic acid
ME391912
-
-
-
-
Raffinose
Raffinose
ME391913
-
-
-
-
L-Rhamnose
Rhamnose
ME391852
-
-
-
-
D-Ribose
Ribose
ME391799
-
-
-
-
Ribose 5-phosphate
Ribose 5-phosphate
ME391914
-
-
-
-
Ribulose 5-phosphate
Ribulose 5-phosphate
ME391915
-
-
-
-
Saccharopine
Saccharopine
ME391916
-
-
-
-
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME391917
-
-
-
-
SAICAR
SAICAR
ME391918
-
-
-
-
Sedoheptulose 7-phosphate
Sedoheptulose 7-phosphate
ME391919
-
-
-
-
S-formylglutathione
S-Formylglutathione
ME391920
-
-
-
-
Cysteineglutathione disulfide
S-Glutathionyl-cysteine
ME391774
-
-
-
-
S-Lactoylglutathione
S-Lactoylglutathione
ME391921
-
-
-
-
N-Palmitoylsphingomyelin
SM 18:1;O2/16:0
ME391886
-
-
-
-
Glycerol 3-Phosphate
sn-Glycero-3-phosphate
ME391822
-
-
-
-
3-Phosphoglyceroinositol
sn-Glycero-3-phosphoinositol
ME391723
-
-
-
-
D-Sorbitol
Sorbitol
ME391800
-
-
-
-
Stachyose
Stachyose
ME391923
-
-
-
-
Suberic Acid
Suberic acid
ME391924
-
-
-
-
Succinate
Succinic acid
ME391925
-
-
-
-
Succinic Semialdehyde
Succinic acid semialdehyde
ME391927
-
-
-
-
Succinic anhydride
Succinic anhydride
ME391926
-
-
-
-
Succinoadenosine
Succinyladenosine
ME391928
-
-
-
-
Succinyl CoA
Succinyl-CoA
ME391929
-
-
-
-
Sucrose
Sucrose
ME391930
-
-
-
-
Tetracosahexaenoic acid
Tetracosahexaenoic acid
ME391931
-
-
-
-
Tetrahydrocortisone
Tetrahydrocortisone
ME391932
-
-
-
-
Theophylline
Theophylline
ME391933
-
-
-
-
Thiamine pyrophosphate
Thiamine diphosphate
ME391934
-
-
-
-
Threonine
Threonine
ME391935
-
-
-
-
Thymine
Thymine
ME391936
-
-
-
-
Hydroxycotinine
trans-3-Hydroxycotinine
ME391834
-
-
-
-
trans-4-Hydroxyproline
trans-4-Hydroxyproline
ME391937
-
-
-
-
Uridine diphosphate (UDP)
UDP
ME391944
-
-
-
-
UDP-Galactose
UDP-galactose
ME391938
-
-
-
-
UDP-Glucose
UDP-glucose
ME391939
-
-
-
-
UDP-Glucuronic acid
UDP-glucuronic acid
ME391940
-
-
-
-
Uridine monophosphate (UMP)
UMP
ME391945
-
-
-
-
Uracil
Uracil
ME391941
-
-
-
-
Uracil 5-Carboxylic Acid
Uracil-5-carboxylic acid
ME391942
-
-
-
-
Uric acid
Uric acid
ME391943
-
-
-
-
Ursodeoxycholic acid 3-sulfate
Ursodeoxycholic acid 3-sulfate
ME391946
-
-
-
-
UTP
UTP
ME391947
-
-
-
-
Valine
Valine
ME391948
-
-
-
-
Xanthosine
Xanthosine
ME391949
-
-
-
-
Xanthosine 5'-Monophosphate (XMP)
XMP
ME391950
-
-
-
-
10-formyldihydrofolate(10-F-DHF)
-
ME391691
-
-
-
-
17beta-estradiol 3-sulfate
-
ME391693
-
-
-
-
2',3'-cAMP
-
ME391697
-
-
-
-
2-Acetamido-2-Deoxy-beta-glucosylamine
-
ME391699
-
-
-
-
2-DHLA-PAF
-
ME391705
-
-
-
-
3',5'-cAMP
-
ME391714
-
-
-
-
3-hydroxytetradecanoyl-CoA
-
ME391720
-
-
-
-
4-Chloro-phenylalanine
-
ME391725
-
-
-
-
5-formyldihydrofolate(5-F-DHF)
-
ME391731
-
-
-
-
acetylcysteine-succinated
-
ME391741
-
-
-
-
Adenosine 3',5'-Bisphosphate (PAP)
-
ME391743
-
-
-
-
Arachidonoyl-PAF
-
ME391748
-
-
-
-
beta-Carboxyglutaric Acid
-
ME391752
-
-
-
-
Butyric(butanoic) acid
-
ME391754
-
-
-
-
cADP-ribose
-
ME391755
-
-
-
-
Citramalic acid/2-Methylmalic acid
-
ME391763
-
-
-
-
CoA-Glutathione-2+
-
ME391768
-
-
-
-
Coenzyme M
-
ME391769
-
-
-
-
Cyclic GMP-AMP
-
ME391770
-
-
-
-
CySO2H (3-Sulfinoalanine)
-
ME391771
-
-
-
-
Cysteamine-SSH
-
ME391772
-
-
-
-
dTDP-Galactose
-
ME391801
-
-
-
-
Glucuronic acid/beta-D-Glucopyranuronic acid
-
ME391819
-
-
-
-
Glutamate methylester
-
ME391821
-
-
-
-
Glycerol-3-phosphocholine
-
ME391823
-
-
-
-
H2SO4
-
ME391828
-
-
-
-
HCySH-succinated
-
ME391829
-
-
-
-
HCy-SS-G
-
ME391830
-
-
-
-
HNO3
-
ME391831
-
-
-
-
iso-butylmethylXanthine
-
ME391842
-
-
-
-
Isonicotinylglycine
-
ME391845
-
-
-
-
L-Glutamyl-taurine
-
ME391850
-
-
-
-
Methylglyoxal/pyruvaldehyde
-
ME391866
-
-
-
-
Methyl Vanillic Acid
-
ME391864
-
-
-
-
Myoinositol-methyl-phosphate
-
ME391870
-
-
-
-
N-carbamoylaspartic acid/ureidosuccinic acid
-
ME391879
-
-
-
-
N-OLEOYL-D-SPHINGOMYELIN
-
ME391884
-
-
-
-
Noradrenaline sulfate/Norepinephrine sulfate
-
ME391885
-
-
-
-
Orotidine-5-monophosphate
-
ME391891
-
-
-
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Undecylenic acid
10-Hendecenoic acid
ME392111
-
-
-
-
10-Hydroxydecanoate
10-Hydroxydecanoic acid
ME391955
-
-
-
-
11-Dehydrocorticosterone
11-Dehydrocorticosterone
ME391956
-
-
-
-
Cortexolone
11-Deoxycortisol
ME392009
-
-
-
-
13,16-Docosadienoic acid
13,16-Docosadienoic acid
ME391960
-
-
-
-
1,3-Diaminopropane
1,3-Diaminopropane
ME391954
-
-
-
-
2,3-Diaminopropionic acid
2,3-Diaminopropionic acid
ME391963
-
-
-
-
25-Hydroxycholesterol
25-Hydroxycholesterol
ME391964
-
-
-
-
Anthranilic Acid
2-Aminobenzoic acid
ME391995
-
-
-
-
2-Hydroxymyristic acid
2-Hydroxymyristic acid
ME391965
-
-
-
-
2-Hydroxypyridine
2-Hydroxypyridine
ME391966
-
-
-
-
3-Deoxyvitamin D3
3-Deoxyvitamin D3
ME391969
-
-
-
-
3-oxo-dodecanoyl-CoA
3-Oxolauroyl-CoA
ME391970
-
-
-
-
3-oxotetradecanoyl-CoA
3-Oxotetradecanoyl-CoA
ME391971
-
-
-
-
4-Hydroxybenzoic Acid
4-Hydroxybenzoic acid
ME391972
-
-
-
-
4-hydroxynonenal
4-Hydroxynonenal
ME391973
-
-
-
-
4-Pyridoxic Acid
4-Pyridoxic acid
ME391975
-
-
-
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME391977
-
-
-
-
5-Methylthioadenosine
5'-Methylthioadenosine
ME391978
-
-
-
-
6-Hydroxynicotinate
6-Hydroxynicotinic acid
ME391979
-
-
-
-
6-Keto-prostaglandin F1a
6-Keto-PGF1alpha
ME391980
-
-
-
-
7-Dehydrocholesterol
7-Dehydrocholesterol
ME391981
-
-
-
-
8-Isoprostane
8-Isoprostane
ME391983
-
-
-
-
acetylCoA
Acetyl-CoA
ME391984
-
-
-
-
Acetyl-farnesyl-cysteine
Acetyl-farnesyl-cysteine
ME391985
-
-
-
-
Adrenic acid (22:4 n-6)
Adrenic acid
ME391987
-
-
-
-
Adrenosterone
Adrenosterone
ME391988
-
-
-
-
Aesculetin
Aesculetin
ME391990
-
-
-
-
Arachidonamide
Arachidonoyl amine
ME391996
-
-
-
-
Anandamide (20:3,n-6)
Arachidonoyl-EA
ME391994
-
-
-
-
Tetradecadienoylcarnitine (C14:2)
CAR 14:2
ME392105
-
-
-
-
Nonanoylcarnitine
CAR 9:0
ME392073
-
-
-
-
Succinylcarnitine
CAR DC4:0
ME392101
-
-
-
-
Carvedilol
Carvedilol
ME392005
-
-
-
-
C8 Dihydroceramide
Cer 18:0;O2/8:0
ME392003
-
-
-
-
C2 Ceramide
Cer 18:1;O2/2:0
ME391999
-
-
-
-
C8 Ceramide
Cer 18:1;O2/8:0
ME392001
-
-
-
-
Cholic Acid
Cholic acid
ME392006
-
-
-
-
Erucic Acid
cis-Erucic acid
ME392023
-
-
-
-
CMP-N-acetylneuraminic acid
CMP-N-acetylneuraminic acid
ME392008
-
-
-
-
Corticosterone
Corticosterone
ME392010
-
-
-
-
Hydrocortisone Acetate
Cortisol 21-acetate
ME392042
-
-
-
-
Cortisone
Cortisone
ME392011
-
-
-
-
Dehydroepiandrosterone
Dehydroepiandrosterone
ME392015
-
-
-
-
Deoxycholic acid
Deoxycholic acid
ME392016
-
-
-
-
Deoxycorticosterone Acetate
Deoxycorticosterone acetate
ME392017
-
-
-
-
Deoxyuridine
Deoxyuridine
ME392018
-
-
-
-
Dihydroorotic Acid
Dihydroorotic acid
ME392020
-
-
-
-
5,6-Dihydrouracil
Dihydrouracil
ME391976
-
-
-
-
Docebenone
Docebenone
ME392021
-
-
-
-
Docosatrienoic acid (22:3 n-3)
Docosatrienoic acid
ME392022
-
-
-
-
Anandamide (20:2, n-6)
Eicosadienoyl-EA
ME391993
-
-
-
-
Estrone
Estrone
ME392024
-
-
-
-
gamma-Linolenic Acid
gamma-Linolenic acid
ME392027
-
-
-
-
Glucosaminic Acid
Glucosaminic acid
ME392028
-
-
-
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME392029
-
-
-
-
Gossypol
Gossypol
ME392030
-
-
-
-
Guanine
Guanine
ME392031
-
-
-
-
Guanosine
Guanosine
ME392032
-
-
-
-
Heneicosanoic acid
Heneicosylic acid
ME392037
-
-
-
-
heptanoic acid
Heptylic acid
ME392039
-
-
-
-
Hippuric Acid
Hippuric acid
ME392040
-
-
-
-
Kynurenic Acid
Kynurenic acid
ME392043
-
-
-
-
Lauric Acid
Lauric acid
ME392044
-
-
-
-
Histidinol
L-Histidinol
ME392041
-
-
-
-
Lignoceric Acid
Lignoceric acid
ME392047
-
-
-
-
Linoleamide
Linoleamide
ME392048
-
-
-
-
Lipoamide
Lipoamide
ME392049
-
-
-
-
Lithocholic Acid
Lithocholic acid
ME392050
-
-
-
-
Sulfolithocholic acid
Lithocholic acid sulfate
ME392102
-
-
-
-
LysoPC(14:0)
LPC 14:0
ME392052
-
-
-
-
LysoPC(16:1)
LPC 16:1
ME392053
-
-
-
-
LysoPC(18:2)
LPC 18:2
ME392054
-
-
-
-
LysoPC(18:3)
LPC 18:3
ME392055
-
-
-
-
LysoPC(20:3)
LPC 20:3
ME392056
-
-
-
-
Lyso-PAF C16
LPC O-16:0
ME392051
-
-
-
-
LysoPE(18:0)
LPE 18:0
ME392057
-
-
-
-
LysoPE(18:1)
LPE 18:1
ME392058
-
-
-
-
Leukotriene C4
LTC4
ME392045
-
-
-
-
Leukotriene D4
LTD4
ME392046
-
-
-
-
Heptadecanoic Acid
Margaric acid
ME392038
-
-
-
-
Melatonin
Melatonin
ME392059
-
-
-
-
Methyluric acid
Methyluric acid
ME392061
-
-
-
-
2-linoleoyl glycerol
MG 18:2(9Z,12Z)
ME391967
-
-
-
-
Myristic Acid
Myristic acid
ME392063
-
-
-
-
N1-Acetylspermine
N1-Acetylspermine
ME392065
-
-
-
-
N-acetylcysteine
N-Acetylcysteine
ME392066
-
-
-
-
Acetylputrescine
N-Acetylputrescine
ME391986
-
-
-
-
Arachidonoylglycine
N-Arachidonoyl glycine
ME391997
-
-
-
-
Nervonic Acid
Nervonic acid
ME392067
-
-
-
-
N-Formylkynurenine
N-Formyl-L-kynurenine
ME392068
-
-
-
-
Nicotinamide
Niacinamide
ME392069
-
-
-
-
Nordihydroguaiaretic acid
Nordihydroguaiaretic Acid
ME392074
-
-
-
-
Oleoyl ethanolamide
Oleoyl-EA
ME392077
-
-
-
-
Palmitelaidic Acid
Palmitelaidic acid
ME392081
-
-
-
-
Palmitoleic Acid
Palmitoleic acid
ME392082
-
-
-
-
Palmitoyl ethanolamide
Palmitoyl-EA
ME392083
-
-
-
-
pantetheine
Pantetheine
ME392084
-
-
-
-
PC(28:0)
PC 28:0
ME392085
-
-
-
-
PE(16:0)
PE 16:0
ME392086
-
-
-
-
Nonanoic Acid
Pelargonic acid
ME392072
-
-
-
-
Prostaglandin E2
PGE2
ME392091
-
-
-
-
Phosphocreatine
Phosphocreatine
ME392087
-
-
-
-
O-Phosphoserine
Phosphoserine
ME392079
-
-
-
-
Piceatannol
Piceatannol
ME392089
-
-
-
-
Quinaldic Acid
Quinaldic acid
ME392092
-
-
-
-
Quinic Acid
Quinic acid
ME392093
-
-
-
-
Retinol (Vitamin A)
Retinol
ME392094
-
-
-
-
Ricinoleic acid
Ricinoleic acid
ME392095
-
-
-
-
S-Hexylglutathione
S-Hexyl-glutathione
ME392098
-
-
-
-
Sphingosylphosphoryl choline
Sphingosine-1-phosphocholine
ME392100
-
-
-
-
Taurochenodesoxycholic acid
Taurochenodeoxycholic acid
ME392103
-
-
-
-
Taurocholic Acid
Taurocholic acid
ME392104
-
-
-
-
TG(60:8)
TG 60:8
ME392106
-
-
-
-
Thymidine
Thymidine
ME392108
-
-
-
-
Tridecanoic acid
Tridecylic acid
ME392109
-
-
-
-
Tryptophanamide
Tryptophanamide
ME392110
-
-
-
-
Uridine
Uridine
ME392112
-
-
-
-
Vanillylmandelic Acid
Vanillylmandelic acid
ME392113
-
-
-
-
Xanthurenic Acid
Xanthurenic acid
ME392114
-
-
-
-
11-Dodecenoic acid
-
ME391957
-
-
-
-
1,2-Didecanoyl-glycerol (10:0)
-
ME391951
-
-
-
-
1,2-Dimyristoyl-sn-glycero-3-phosphate
-
ME391952
-
-
-
-
1,2-Dioctanoyl-SN-glycerol
-
ME391953
-
-
-
-
12-Heneicosenoic acid
-
ME391958
-
-
-
-
12-Tridecenoic acid
-
ME391959
-
-
-
-
14-Tricosenoic acid
-
ME391961
-
-
-
-
1-Hexadecyl-2-methylglycero-3 PC
-
ME391962
-
-
-
-
2'-O-Methylinosine
-
ME391968
-
-
-
-
4-Oxatetradecanoic acid
-
ME391974
-
-
-
-
8-iso Prostaglandin F2Î
-
ME391982
-
-
-
-
Adrenoyl ethanolamide/Anandamide (22:4,n-6)
-
ME391989
-
-
-
-
AGC (N-Acetyl-S-geranyl-L-cysteine)
-
ME391991
-
-
-
-
AGGC (N-Acetyl-S-geranylgeranyl-L-cysteine )
-
ME391992
-
-
-
-
Ascorbyl Palminate
-
ME391998
-
-
-
-
C2 Dihydroceramide
-
ME392000
-
-
-
-
C8 Ceramine
-
ME392002
-
-
-
-
Capric Acid/Decanoic Acid
-
ME392004
-
-
-
-
Cinchonic Acid
-
ME392007
-
-
-
-
CySH
-
ME392012
-
-
-
-
CySSH
-
ME392013
-
-
-
-
CySSSH
-
ME392014
-
-
-
-
Dihydrocortisone
-
ME392019
-
-
-
-
folate-(Glu)1
-
ME392025
-
-
-
-
folate-(Glu)2
-
ME392026
-
-
-
-
H2S
-
ME392033
-
-
-
-
H2S2
-
ME392034
-
-
-
-
H2S3
-
ME392035
-
-
-
-
HCySH
-
ME392036
-
-
-
-
Methoprene acid
-
ME392060
-
-
-
-
Myristelaidic acid
-
ME392062
-
-
-
-
N1,N8-Diacetylspermine
-
ME392064
-
-
-
-
N-Octanoyl-N-methylglucamine
-
ME392070
-
-
-
-
N-Oleoyl-D-sphingosine
-
ME392071
-
-
-
-
Octenoylcarnitin (C8:1)
-
ME392075
-
-
-
-
Oleamide/9,10-Octadecenoamide
-
ME392076
-
-
-
-
Oleyl Anilide
-
ME392078
-
-
-
-
PAF C18:1
-
ME392080
-
-
-
-
Phosphorylcholine oleoyloxyethyl ester
-
ME392088
-
-
-
-
Procysteine
-
ME392090
-
-
-
-
S2O32-
-
ME392096
-
-
-
-
S-Farnesyl-L-cysteine
-
ME392097
-
-
-
-
Sphinganine/Dihydrosphingosine
-
ME392099
-
-
-
-
thiopyruvate
-
ME392107
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Eicosadienoic acid (20:2 n-6)
11Z,14Z-Eicosadienoic acid
ME392138
-
-
-
-
12-Hydroxydodecanoic Acid
12-Hydroxy lauric acid
ME392115
-
-
-
-
3-hydroxyisovaleric acid
3-Hydroxyisovaleric acid
ME392116
-
-
-
-
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME392117
-
-
-
-
4-Hydroxyphenyllactic Acid
4-Hydroxyphenyllactic acid
ME392118
-
-
-
-
7-methylguanine
7-Methylguanine
ME392120
-
-
-
-
Acetoacetic acid
Acetoacetic acid
ME392121
-
-
-
-
Arachidic Acid
Arachidic acid
ME392122
-
-
-
-
Arachidonic acid (20:4 n-6)
Arachidonic acid
ME392123
-
-
-
-
Azelaic Acid
Azelaic acid
ME392124
-
-
-
-
Behenic acid
Behenic acid
ME392125
-
-
-
-
bilirubin
Bilirubin
ME392126
-
-
-
-
Caffeic Acid
Caffeic acid
ME392129
-
-
-
-
C12 Ceramide
Cer 18:1;O2/12:0
ME392128
-
-
-
-
Cholesterol sulfate
Cholesterol sulfate
ME392131
-
-
-
-
Vaccenic Acid
cis-Vaccenic acid
ME392159
-
-
-
-
Cortisol
Cortisol
ME392132
-
-
-
-
cortisol 21-sulfate
Cortisol 21-sulfate
ME392133
-
-
-
-
Dehydroisoandrosterone 3-sulfate
Dehydroepiandrosterone sulfate
ME392134
-
-
-
-
Dioctyl Phthalate
Dioctyl phthalate
ME392135
-
-
-
-
Docosahexaenoic Acid (22:6 n-3)
Docosahexaenoic acid
ME392136
-
-
-
-
Docosapentaenoic acid
Docosapentaenoic acid
ME392137
-
-
-
-
Eicosatrienoic acid (20:3 n-3)
Eicosatrienoic acid
ME392140
-
-
-
-
Eicosenoic acid
Eicosenoic acid
ME392141
-
-
-
-
Elaidic Acid
Elaidic acid
ME392142
-
-
-
-
Eicosapentaenoic acid (20:5 n-3)
EPA
ME392139
-
-
-
-
Folic acid
Folic acid
ME392144
-
-
-
-
Glutaric Acid
Glutaric acid
ME392145
-
-
-
-
Linoleic acid
Linoleic acid
ME392146
-
-
-
-
LysoPC(18:4)
LPC 18:4
ME392148
-
-
-
-
N-Acetylleucine
N-Acetylleucine
ME392149
-
-
-
-
Nonadecanoic acid
Nonadecylic acid
ME392150
-
-
-
-
Palmitic Acid
Palmitic acid
ME392151
-
-
-
-
Pentadecanoic acid
Pentadecylic acid
ME392152
-
-
-
-
Phenylacetic Acid
Phenylacetic acid
ME392153
-
-
-
-
Retinoic Acid
Retinoic acid
ME392155
-
-
-
-
Stearic Acid
Stearic acid
ME392157
-
-
-
-
Stearidonic acid
Stearidonic acid
ME392158
-
-
-
-
Ergocalciferol
Vitamin D2
ME392143
-
-
-
-
4-Ketoretinoic Acid
-
ME392119
-
-
-
-
C10 Ceramide
-
ME392127
-
-
-
-
Carnosic acid
-
ME392130
-
-
-
-
Linolelaidic acid
-
ME392147
-
-
-
-
Probucol
-
ME392154
-
-
-
-
SO32-
-
ME392156
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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