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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,7-dimethyluric acid1,7-Dimethyluric acidME754662--3.74197.0665
1-carboxymethylmetronidazole1-CarboxymethylmetronidazoleME754663--5.94186.0505
1-methyladenosine1-MethyladenosineME754664--7.76282.1186
1-methylguanine1-MethylguanineME754665--5.35166.0718
1-methylguanosine1-MethylguanosineME754666--5.16298.1134
2-aminoisobutyric acidAminoisobutyric acidME754667--7.83104.0703
2-deoxyuridineDeoxyuridineME754668--3.67229.0812
3-hydroxyhippurate3-Hydroxyhippuric acidME754675--2.69196.0600
3-methoxytyramine3-MethoxytyramineME754670--6.26168.1014
3-methylhistidine3-MethylhistidineME754671--9.90170.0919
3-methylxanthine3-MethylxanthineME754672--3.38167.0559
3-(N-acetyl-L-cystein-S-yl) acetaminophen3-(N-Acetyl-L-cystein-S-yl) acetaminophenME754669--5.11313.0841
4-acetamidobutanoate4-Acetamidobutanoic acidME754673--3.48146.0807
4-hydroxy-3-methylacetophenone4-Hydroxy-3-methylacetophenoneME754674--2.02151.0749
4-pyridoxate4-Pyridoxic acidME754676--4.23184.0600
5-acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME754677--5.34199.0821
5-hydroxymethyl-4-methyluracil5-Hydroxymethyl-4-methyluracilME754678--3.71157.0603
7-methylguanine7-MethylguanineME754679--5.83166.0718
acetaminophenAcetaminophenME754680--2.04152.0701
acetaminophen glucuronidep-AcetamidophenylglucuronideME754681--5.50328.1014
acetyl-galactosamineN-AcetylgalactosamineME754682--5.49222.0965
acisogaAcisogaME754683--5.70185.1280
adenosineAdenosineME754684--5.07268.1031
ADMADimethylarginineME754685--9.83203.1498
alanineAlanineME754686--7.8790.0547
allantoinAllantoinME754687--3.63159.0508
allopurinol ribosideAllopurinol ribosideME754688--3.47269.0872
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME754689--10.50258.1092
alpha-hydroxymetoprololalpha-HydroxymetoprololME754690--6.57284.1846
arginineArginineME754691--9.24175.1185
asparagineAsparagineME754692--7.94133.0605
aspartateAspartic acidME754693--7.95134.0445
atenololAtenololME754694--6.91267.1694
betaineBetaineME754695--9.03118.0860
bilirubinBilirubinME754696--1.72585.2688
biliverdinBiliverdinME754697--2.04583.2535
butyrobetaine3-DehydroxycarnitineME754698--8.84146.1170
C10 carnitineCAR 10:0ME754713--7.25316.2470
C12:1 carnitineCAR 12:1ME754715--7.09342.2625
C12 carnitineCAR 12:0ME754714--7.07344.2782
C14:0 LPCLPC 14:0ME754818--8.00468.3070
C14:0 SMSM 18:1;O2/14:0ME754869--7.43675.5408
C14:1 carnitineCAR 14:1ME754717--6.92370.2937
C14:2 carnitineCAR 14:2ME754718--6.98368.2781
C14 carnitineCAR 14:0ME754716--6.92372.3094
C16:0 ceramide (d18:1)Cer 18:1;O2/16:0ME754879--1.90538.5182
C16:0 LPCLPC 16:0ME754820--7.87496.3383
C16:0 LPELPE 16:0ME754834--6.39454.2914
C16:0 SMSM 18:1;O2/16:0ME754871--7.31703.5722
C16:1 LPCLPC 16:1ME754819--7.92494.3229
C16:1 LPC plasmalogenLPC P-16:1 or LPC O-16:2ME754832--7.70480.3434
C16:1 SMSM 18:1;O2/16:1ME754870--7.32701.5565
C16 carnitineCAR 16:0ME754719--6.80400.3407
C18:0 LPCLPC 18:0ME754824--7.75524.3698
C18:0 LPE ALPE 18:0ME754838--6.32482.3226
C18:0 LPE BLPE 18:0ME754839--7.93482.3228
C18:0 SMSM 18:1;O2/18:0ME754873--7.25731.6040
C18:1 carnitineCAR 18:1ME754721--6.72426.3562
C18:1 LPCLPC 18:1ME754823--7.80522.3541
C18:1 LPC plasmalogenLPC P-18:0 or LPC O-18:1ME754833--7.91508.3748
C18:1 LPELPE 18:1ME754837--6.34480.3070
C18:1 SMSM 18:1;O2/18:1ME754872--7.26729.5882
C18:2 carnitineCAR 18:2ME754722--6.77424.3406
C18:2 LPCLPC 18:2ME754822--7.85520.3384
C18:2 LPELPE 18:2ME754836--6.38478.2914
C18:3 LPCLPC 18:3ME754821--7.88518.3205
C18:3 LPELPE 18:3ME754835--6.41476.2741
C18 carnitineCAR 18:0ME754720--6.69428.3718
C20:0 LPELPE 20:0ME754842--7.81510.3541
C20:0 SMSM 18:1;O2/20:0ME754874--7.18759.6346
C20:1 LPCLPC 20:1ME754829--7.69550.3857
C20:1 LPELPE 20:1ME754841--7.86508.3386
C20:3 LPC ALPC 20:3ME754827--7.63546.3525
C20:3 LPC BLPC 20:3ME754828--7.77546.3532
C20:4 LPCLPC 20:4ME754826--7.79544.3380
C20:4 LPELPE 20:4ME754840--6.33502.2914
C20:5 LPCLPC 20:5ME754825--7.85542.3208
C22:0 SMSM 18:1;O2/22:0ME754876--7.14787.6665
C22:1 SMSM 18:1;O2/22:1ME754875--7.13785.6502
C22:5 LPCLPC 22:5ME754831--7.73570.3538
C22:6 LPCLPC 22:6ME754830--7.74568.3377
C22:6 LPELPE 22:6ME754843--6.30526.2916
C24:1 ceramide (d18:1)Cer 18:1;O2/24:1ME754880--1.85648.6269
C26 carnitineCAR 26:0ME754723--6.38540.4975
C2 carnitineCAR 2:0ME754701--8.75204.1224
C30:0 PCPC 30:0ME754844--6.81706.5357
C32:2 PCPC 32:2ME754845--6.77730.5358
C34:0 PEPE 34:0ME754854--6.79720.5515
C34:1 DAG_NaDG 34:1ME754881--1.64617.5116
C34:2 DAG_NaDG 34:2ME754882--1.64615.4956
C34:2 PEPE 34:2ME754853--5.63716.5201
C34:2 PE plasmalogenPE P-34:1 or PE O-34:2ME754861--5.58702.5414
C34:3 PCPC 34:3ME754847--6.74756.5507
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME754849--6.68742.5724
C34:3 PE plasmalogenPE P-34:2 or PE O-34:3ME754860--5.57700.5251
C34:4 PCPC 34:4ME754846--6.77754.5341
C36:2 PCPC 36:2ME754848--6.68786.5964
C36:2 PEPE 36:2ME754856--5.59744.5518
C36:2 PS plasmalogenPS O-36:2ME754868--6.86774.5612
C36:3 PE plasmalogenPE P-36:2 or PE O-36:3ME754863--5.54728.5570
C36:4 PEPE 36:4ME754855--5.56740.5203
C36:5 PC plasmalogenPC P-36:4 or PC O-36:5ME754850--6.59766.5715
C36:5 PE plasmalogenPE P-36:4 or PE O-36:5ME754862--5.50724.5252
C38:4 PEPE 38:4ME754858--5.52768.5510
C38:5 PE plasmalogenPE P-38:4 or PE O-38:5ME754866--5.48752.5562
C38:6 PC plasmalogenPC P-38:5 or PC O-38:6ME754852--6.57792.5873
C38:6 PEPE 38:6ME754857--5.54764.5194
C38:6 PE plasmalogenPE P-38:5 or PE O-38:6ME754865--5.48750.5404
C38:7 PC plasmalogenPC P-38:6 or PC O-38:7ME754851--6.57790.5715
C38:7 PE plasmalogenPE P-38:6 or PE O-38:7ME754864--5.49748.5244
C3 carnitineCAR 3:0ME754702--8.40218.1380
C3-DC-CH3 carnitineCAR 3:0;2MeME754703--8.64262.1276
C40:6 PEPE 40:6ME754859--5.50792.5512
C40:7 PE plasmalogenPE P-40:6 or PE O-40:7ME754867--5.46776.5563
C4 carnitineCAR 4:0ME754704--8.10232.1536
C4-OH carnitineCAR 4:0;OHME754705--8.93248.1485
C5:1 carnitineCAR 5:1ME754707--7.96244.1535
C5 carnitineCAR 5:0ME754706--7.88246.1692
C5-DC carnitineCAR DC5:0ME754708--8.41276.1432
C6 carnitineCAR 6:0ME754709--7.65260.1847
C7 carnitineCAR 7:0ME754710--7.54274.2003
C8 carnitineCAR 8:0ME754711--7.43288.2158
C9 carnitineCAR 9:0ME754712--7.30302.2314
caffeineCaffeineME754699--2.88195.0873
carnitineCarnitineME754700--8.89162.1118
C-glycosyltryptophanC-GlycosyltryptophanME754724--7.18367.1485
cholineCholineME754725--8.34104.1066
citrullineCitrullineME754726--8.41176.1025
cortisolCortisolME754727--2.06363.2152
cotinineCotinineME754728--5.12177.1017
creatineCreatineME754729--8.40132.0764
creatinineCreatinineME754730--6.55114.0660
cystineCystineME754731--9.12241.0304
cytosineCytosineME754732--5.46112.0502
diacetylspermineN1,N12-DiacetylspermineME754733--10.45287.2431
dimethylglycineDimethylglycineME754734--8.59104.0703
DMGVDMGVME754735--7.78202.1181
ectoineEctoineME754736--8.99143.0810
GABAgamma-Aminobutyric acidME754737--7.70104.0703
glutamateGlutamic acidME754738--7.67148.0599
glutamineGlutamineME754739--8.09147.0759
glycineGlycineME754740--7.9876.0391
glycocholateGlycocholic acidME754741--5.42466.3149
glycodeoxycholate/glycochenodeoxycholateGlycodeoxycholic acidME754742--4.38450.3200
guanidinoacetic acidGuanidoacetic acidME754743--7.93118.0610
guanosineGuanosineME754744--5.33284.0980
hippurateHippuric acidME754745--2.64180.0650
histidineHistidineME754746--9.26156.0763
homoarginineHomoarginineME754747--9.29189.1341
homocitrullineHomocitrullineME754748--8.41190.1181
hydroxycotininetrans-3-HydroxycotinineME754749--5.06193.0967
hydroxyprolineHydroxyprolineME754750--7.94132.0652
hypotaurineHypotaurineME754751--8.06110.0267
imidazole propionateImidazole propanoateME754752--7.53141.0653
inosineInosineME754753--4.95269.0871
isoleucineIsoleucineME754754--7.17132.1016
kynurenic acidKynurenic acidME754755--5.35190.0494
L-alpha-glutamyl-L-lysineGlu-LysME754756--9.81276.1545
leucineLeucineME754757--7.04132.1016
lysineLysineME754758--9.47147.1123
metforminMetforminME754759--7.31130.1084
methionineMethionineME754760--7.11150.0578
methionine sulfoxideMethionine sulfoxideME754761--8.69166.0528
methylguanidineMethylguanidineME754763--6.8874.0711
methylimidazoleacetic acidMethylimidazoleacetic acidME754764--8.94141.0653
methyl N-methylanthranilateMethyl N-methylanthranilateME754762--2.03166.0858
metoprololMetoprololME754765--6.23268.1898
metronidazoleMetronidazoleME754766--2.76172.0711
myristoleic acidMyristoleic acidME754767--1.73227.1999
N1-acetylspermidineN1-AcetylspermidineME754768--9.93188.1753
N1-methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME754769--4.41153.0653
N2,N2-dimethylguanosineN2,N2-DimethylguanosineME754770--5.43312.1291
N4-acetylcytidineN4-AcetylcytidineME754771--4.35286.1023
N6-acetyllysineN6-AcetyllysineME754775--8.44189.1229
N6-methyllysineN(6)-MethyllysineME754772--9.78161.1279
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME754773--10.35175.1436
N6,N6,N6-trimethyllysineN-6-TrimethyllysineME754774--11.29189.1593
N-acetylalanineN-AcetylalanineME754776--3.68132.0652
N-acetylaspartic acidN-Acetylaspartic acidME754777--4.35176.0549
N-acetylmethionineN-AcetylmethionineME754778--3.67192.0684
N-acetylornithineN-AcetylornithineME754779--8.47175.1072
N-acetylputrescineN-AcetylputrescineME754780--7.99131.1176
N-acetyltryptophanN-Acetyl-tryptophanME754781--2.91247.1069
N-alpha-acetylargininePelargonidinME754782--8.26217.1289
N-carbamoyl-beta-alanineUreidopropionic acidME754783--4.19133.0605
N-ethylglycinexylidideMonoethylglycinexylidideME754784--6.29207.1487
niacinamideNiacinamideME754785--3.87123.0554
N-lauroylglycineNAGly 12:0ME754786--2.41258.2055
N-methylprolineN-Methyl-prolineME754787--8.68130.0859
NMMATarginineME754788--9.45189.1341
ornithineOrnithineME754789--9.36133.0969
pantothenatePantothenic acidME754790--3.07220.1173
phenylacetylglutaminealpha-N-PhenylacetylglutamineME754791--4.72265.1173
phenylalaninePhenylalanineME754792--6.79166.0857
phenylalanine-d8 [iSTD]-ME754660--6.80174.1360
pipecolic acidPipecolic acidME754793--8.05130.0859
piperinePiperineME754794--2.00286.1427
prolineProlineME754795--8.17116.0704
proline-betaineProline betaineME754796--9.29144.1013
pseudouridinePseudouridineME754797--4.24245.0760
SDMASymmetric dimethylarginineME754798--9.74203.1498
serineSerineME754799--7.71106.0496
S-methyl-L-cysteine-S-oxideS-Methylcysteine S-oxideME754800--8.66152.0380
sphinganineSphinganineME754878--5.91302.3042
sphingosineSphingosineME754877--5.89300.2885
sulfamethoxazoleSulfamethoxazoleME754801--1.82254.0585
taurineTaurineME754802--6.13126.0218
thiamineThiamineME754803--9.77265.1108
threonineThreonineME754804--7.64120.0656
trigonellineTrigonellineME754805--8.94138.0544
trimethylamine-N-oxideTrimethylamine N-oxideME754806--8.2176.0755
tryptophanTryptophanME754807--6.59205.0966
tyrosineTyrosineME754808--6.89182.0807
urateUric acidME754809--4.37169.0351
urocanic acidUrocanic acidME754810--4.58139.0497
valineValineME754811--7.48118.0861
valine-d8 [iSTD]-ME754661--7.50126.1364
valsartanValsartanME754812--1.84436.2328
verapamilVerapamilME754813--5.92455.2890
warfarinWarfarinME754814--1.77309.1110
xanthineXanthineME754815--3.85153.0402
xanthopterinXanthopterinME754816--4.67180.0511
xanthosineXanthosineME754817--4.42285.0818


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-methylhistidine1-MethylhistidineME754886--3.24168.0780
1-methylurate1-Methyluric acidME754887--4.37181.0369
1-methylxanthine1-MethylxanthineME754888--3.57165.0419
2-aminoadipatealpha-Aminoadipic acidME754889--4.96160.0616
2-aminobutyrate2-Aminobutyric acidME754890--2.89102.0560
2-aminoheptanoate2-Aminoheptanoic acidME754891--2.41144.1031
2-hydroxy-3-methylbutyrate/hydroxyisovalerate-ME754892--3.24117.0558
2-hydroxy-3-methylpentanoate/hydroxyisocaproate-ME754893--3.22131.0715
2-hydroxyglutarate2-Hydroxyglutaric acidME754894--6.46147.0300
2-isopropylmalate2-Isopropylmalic acidME754895--6.62175.0600
3-methyladipate/pimelate-ME754896--6.33159.0664
3-methylxanthine3-MethylxanthineME754897--3.17165.0419
4-hydroxybenzaldehyde4-HydroxybenzaldehydeME754898--2.34121.0300
4-nitrophenol4-NitrophenolME754899--3.23138.0200
4-pyridoxate4-Pyridoxic acidME754900--3.32182.0461
7-methylxanthine7-MethylxanthineME754901--2.32165.0419
acetaminophen glucuronidep-AcetamidophenylglucuronideME754902--4.24326.0900
aconitatetrans-Aconitic acidME754903--8.46173.0100
adenineAdenineME754904--2.19134.0500
adipate/methylglutarate-ME754905--6.35145.0507
adonitol/arabitol-ME754906--1.69151.0613
alpha-glycerophosphatesn-Glycero-3-phosphateME754907--6.87171.0100
alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxy...-ME754908--3.49103.0401
alpha-keto-beta-methylvalerate/alpha-ketoisocaproa...-ME754909--3.07129.0600
alpha-ketoglutarate2-Oxoglutaric acidME754910--6.97145.0143
alpha-ketoisovalerateKetoisovaleric acidME754911--3.12115.0400
anhydroDglucose/3-hydroxymethylglutarate-ME754912--6.33161.0457
aspartateAspartic acidME754913--4.86132.0303
bilirubinBilirubinME754914--14.19583.2573
butyrateButyric acidME754915--3.5087.0500
chenodeoxycholate/deoxycholateDeoxycholic acidME754916--3.76391.2857
citrate/isocitrateCitric acid/Isocitric acidME754917--8.42191.0199
CMPF3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME754918--6.56239.0925
corticosteroneCorticosteroneME754919--1.13345.2100
cystathionineCystathionineME754920--5.11221.0602
erythronate/threonate-ME754921--4.00135.0300
fructose/glucose/galactoseHexoseME754922--2.05179.0563
fumarate/maleateFumaric acidME754923--6.54115.0000
gentisateGentisic acidME754924--4.29153.0195
glucuronateGlucuronic acidME754925--4.52193.0400
glutamateGlutamic acidME754926--4.81146.0459
glycerateGlyceric acidME754927--3.95105.0193
glycocholateGlycocholic acidME754928--3.65464.3021
glycocholate-d4 [iSTD]-ME754885--3.64468.3271
glycodeoxycholate/glycochenodeoxycholateGlycodeoxycholic acidME754929--3.55448.3072
guanineGuanineME754930--2.64150.0400
guanosineGuanosineME754931--2.85282.0800
hexose monophosphateFructose 6-phosphateME754932--7.00259.0200
hippurateHippuric acidME754933--3.63178.0511
homovanillateHomovanillic acidME754934--4.07181.0508
hypoxanthineHypoxanthineME754935--3.01135.0314
indole-3-propionate3-Indolepropionic acidME754936--4.15188.0718
indolelactateIndolelactic acidME754937--4.10204.0667
indoxylsulfateIndoxyl sulfateME754938--3.56212.0025
inosineInosineME754939--3.12267.0734
inosine-15N4 [iSTD]InosineME754884--3.12271.0616
inositolInositolME754940--2.56179.0600
isovalerate/valerate/methylbutyrate-ME754941--3.41101.0600
kynurenineKynurenineME754942--3.02207.0800
lactateLactic acidME754943--3.6389.0200
malateMalic acidME754944--6.52133.0143
malonateMalonic acidME754945--6.72103.0000
MDAMalondialdehydeME754946--3.6271.0100
mesaconate/itaconate-ME754947--6.41129.0195
N-acetylcarnosineN-AcetylcarnosineME754948--3.84267.1100
N-acetylglutamateN-Acetylglutamic acidME754949--6.22188.0566
oxalateOxalic acidME754950--6.9788.9881
oxypurinolOxypurinolME754951--4.20151.0300
pantothenatePantothenic acidME754952--3.65218.1035
pentose monophosphateRibose 5-phosphateME754953--6.95229.0100
phenyllactatePhenyllactic acidME754954--3.41165.0600
propionatePropionic acidME754955--3.7473.0300
pseudouridinePseudouridineME754956--2.18243.0622
pyruvatePyruvic acidME754957--5.3987.0100
quinateQuinic acidME754958--4.00191.0563
quinolinateQuinolinic acidME754959--7.00166.0147
ranitidineRanitidineME754960--1.14313.1300
salicylurateSalicyluric acidME754961--5.44194.0500
sebacateSebacic acidME754962--6.28201.1134
sorbitolSorbitolME754963--1.85181.0719
suberateSuberic acidME754964--6.34173.0800
succinateSuccinic acidME754965--6.49117.0200
sucrose/lactose/trehalose-ME754966--2.31341.1093
tartarateTartaric acidME754967--6.58149.0092
taurocholateTaurocholic acidME754968--3.30514.2800
taurodeoxycholate/taurochenodeoxycholate-ME754969--3.15498.2896
theophyllineTheophyllineME754970--2.36179.0600
thymineThymineME754971--1.29125.0357
thymine-d4 [iSTD]-ME754883--1.30129.0609
uracilUracilME754972--1.62111.0200
urateUric acidME754973--4.57167.0212
uridineUridineME754974--1.69243.0622
xanthineXanthineME754975--4.47151.0262
xanthurenateXanthurenic acidME754976--7.64204.0300


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
7-Dehydrodesmosterol7-Dehydro-desmosterolME755071--7.08383.3302
C14:0 CECE 14:0ME755090--11.79619.5411
C14:0 LPCLPC 14:0ME754978--4.43468.3078
C14:0 SMSM 18:1;O2/14:0ME755080--7.88675.5423
C14:1 MAGMG 14:1ME755103--4.59323.2187
C16:0 CECE 16:0ME755092--12.19647.5724
C16:0 Ceramide (d18:1)Cer 18:1;O2/16:0ME755076--8.53538.5185
C16:0 LPCLPC 16:0ME754980--4.95496.3389
C16:0 LPC_NaLPC 16:0ME755199--4.95518.3207
C16:0 LPELPE 16:0ME754988--4.97454.2920
C16:0 SMSM 18:1;O2/16:0ME755082--8.38703.5732
C16:1 CECE 16:1ME755091--11.89645.5566
C16:1 LPCLPC 16:1ME754979--4.59494.3234
C16:1 MAGMG 16:1ME755104--5.05339.2499
C16:1 SMSM 18:1;O2/16:1ME755081--8.03701.5580
C18:0 CECE 18:0ME755096--12.64675.6040
C18:0 LPCLPC 18:0ME754984--5.54524.3702
C18:0 LPELPE 18:0ME754991--5.56482.3234
C18:0 MAGMG 18:0ME755105--5.99381.2967
C18:0 SMSM 18:1;O2/18:0ME755084--8.87731.6047
C18:1 CECE 18:1ME755095--12.26673.5878
C18:1 LPCLPC 18:1ME754983--5.14522.3547
C18:1 LPELPE 18:1ME754990--5.15480.3077
C18:1 SMSM 18:1;O2/18:1ME755083--8.55729.5891
C18:2 CECE 18:2ME755094--11.98671.5718
C18:2 LPCLPC 18:2ME754982--4.78520.3390
C18:2 LPELPE 18:2ME754989--4.80478.2920
C18:3 CECE 18:3ME755093--11.72669.5564
C18:3 LPCLPC 18:3ME754981--4.82518.3210
C20:0 LPELPE 20:0ME754993--5.24510.3547
C20:0 SMSM 18:1;O2/20:0ME755085--9.32759.6361
C20:3 CECE 20:3ME755099--12.09697.5879
C20:4 CECE 20:4ME755098--11.83695.5718
C20:4 LPCLPC 20:4ME754986--4.70544.3391
C20:4 LPELPE 20:4ME754992--4.82502.2919
C20:5 CECE 20:5ME755097--11.59693.5564
C20:5 LPCLPC 20:5ME754985--4.53542.3235
C22:0 Ceramide (d18:1)Cer 18:1;O2/22:0ME755077--9.87622.6126
C22:0 LPELPE 22:0ME754995--5.87538.3864
C22:0 SMSM 18:1;O2/22:0ME755087--9.75787.6676
C22:1 SMSM 18:1;O2/22:1ME755086--9.48785.6518
C22:4 CECE 22:4ME755102--12.23723.6039
C22:5 CECE 22:5ME755101--11.91721.5877
C22:6 CECE 22:6ME755100--11.70719.5720
C22:6 LPCLPC 22:6ME754987--4.78568.3391
C22:6 LPELPE 22:6ME754994--4.80526.2918
C24:0 Ceramide (d18:1)Cer 18:1;O2/24:0ME755078--10.29650.6436
C24:0 PC [iSTD]-ME754977--6.68622.4431
C24:0 SMSM 18:1;O2/24:0ME755089--10.17815.6988
C24:1 Ceramide (d18:1)Cer 18:1;O2/24:1ME755079--9.93648.6282
C24:1 SMSM 18:1;O2/24:1ME755088--9.80813.6831
C30:0 DAGDG 30:0ME755106--8.90563.4638
C30:0 PCPC 30:0ME754997--8.34706.5364
C30:1 PCPC 30:1ME754996--8.01704.5213
C32:0 DAGDG 32:0ME755109--9.34591.4948
C32:0 PCPC 32:0ME755000--8.81734.5678
C32:0 PEPE 32:0ME755035--8.09692.5211
C32:1 DAGDG 32:1ME755108--9.03589.4792
C32:1 PCPC 32:1ME754999--8.51732.5523
C32:1 PEPE 32:1ME755034--8.51690.5048
C32:2 DAGDG 32:2ME755107--8.73587.4637
C32:2 PCPC 32:2ME754998--8.17730.5366
C34:0 DAGDG 34:0ME755113--9.72619.5264
C34:0 PCPC 34:0ME755005--9.25762.5990
C34:0 PEPE 34:0ME755037--8.59720.5523
C34:0 PSPS 34:0ME755065--8.40764.5462
C34:1 DAGDG 34:1ME755112--9.45617.5105
C34:1 PCPC 34:1ME755004--8.96760.5835
C34:1 PC plasmalogen-APC P-34:1 or PC O-34:2ME755022--9.24746.6042
C34:1 PC plasmalogen-BPC P-34:1 or PC O-34:2ME755023--9.53746.6046
C34:1 PIPI 34:1ME755062--8.55837.5477
C34:2 DAGDG 34:2ME755111--9.18615.4948
C34:2 PCPC 34:2ME755003--8.66758.5676
C34:2 PC plasmalogenPC P-34:2 or PC O-34:3ME755021--9.25744.5887
C34:2 PEPE 34:2ME755036--8.66716.5203
C34:2 PE plasmalogenPE P-34:1 or PE O-34:2ME755049--9.25702.5421
C34:2 PIPI 34:2ME755061--8.22835.5315
C34:3 DAGDG 34:3ME755110--8.86613.4789
C34:3 PCPC 34:3ME755002--8.36756.5517
C34:3 PC plasmalogenPC P-34:2 or PC O-34:3ME755020--8.95742.5730
C34:3 PE plasmalogenPE P-34:2 or PE O-34:3ME755048--8.96700.5247
C34:4 PCPC 34:4ME755001--8.19754.5365
C34:5 PC plasmalogenPC P-34:5 or PC O-34:6ME755019--9.18738.5423
C36:0 DAGDG 36:0ME755118--10.13647.5566
C36:0 PCPC 36:0ME755012--9.65790.632
C36:0 PEPE 36:0ME755042--8.99748.5839
C36:1 DAGDG 36:1ME755117--9.89645.5419
C36:1 PCPC 36:1ME755011--9.38788.6149
C36:1 PC plasmalogenPC P-36:1 or PC O-36:2ME755029--9.67774.6350
C36:1 PEPE 36:1ME755041--9.38746.5685
C36:1 PE plasmalogenPE P-36:1 or PE O-36:2ME755054--9.28732.5881
C36:2 DAGDG 36:2ME755116--9.59643.5262
C36:2 PCPC 36:2ME755010--9.11786.5992
C36:2 PC plasmalogenPC P-36:2 or PC O-36:3ME755028--9.39772.6198
C36:2 PEPE 36:2ME755040--9.10744.5523
C36:2 PE plasmalogenPE P-36:2 or PE O-36:3ME755053--9.66730.5733
C36:3 DAGDG 36:3ME755115--9.30641.5103
C36:3 PCPC 36:3ME755009--8.82784.5851
C36:3 PC plasmalogenPC P-36:3 or PC O-36:4ME755027--9.38770.6044
C36:3 PEPE 36:3ME755039--8.80742.5357
C36:3 PE plasmalogenPE P-36:2 or PE O-36:3ME755052--9.39728.5575
C36:4 DAGDG 36:4ME755114--9.01639.4946
C36:4 hydroxy-PC-ME755008--7.56798.5634
C36:4 PC-APC 36:4ME755006--8.49782.5694
C36:4 PC-BPC 36:4ME755007--8.68782.5671
C36:4 PC plasmalogenPC P-36:4 or PC O-36:5ME755026--8.99768.5870
C36:4 PEPE 36:4ME755038--8.68740.5215
C36:4 PE plasmalogenPE P-36:4 or PE O-36:5ME755051--9.08726.5423
C36:4 PIPI 36:4ME755063--8.23859.5308
C36:5 PC plasmalogen-APC P-36:5 or PC O-36:6ME755024--8.71766.5722
C36:5 PC plasmalogen-BPC O-16:1/20:4ME755025--8.95766.5717
C36:5 PE plasmalogenPE P-36:4 or PE O-36:5ME755050--8.97724.5265
C38:2 PCPC 38:2ME755016--9.47814.6306
C38:2 PEPE 38:2ME755046--8.88772.5825
C38:3 PCPC 38:3ME755015--9.26812.6144
C38:3 PE plasmalogenPE P-38:3 or PE O-38:4ME755058--9.13756.5895
C38:4 DAGDG 38:4ME755120--9.44667.5260
C38:4 PCPC 38:4ME755014--9.12810.5979
C38:4 PC plasmalogenPC P-38:4 or PC O-38:5ME755032--9.29796.6194
C38:4 PEPE 38:4ME755045--9.12768.5528
C38:4 PIPI 38:4ME755064--8.73887.5620
C38:5 DAGDG 38:5ME755119--9.29665.5102
C38:5 PEPE 38:5ME755044--8.82766.5370
C38:5 PE plasmalogenPE P-38:4 or PE O-38:5ME755057--9.39752.5574
C38:6 PCPC 38:6ME755013--8.61806.5671
C38:6 PC plasmalogenPC P-38:5 or PC O-38:6ME755031--9.07792.5873
C38:6 PEPE 38:6ME755043--8.62764.5203
C38:6 PE plasmalogenPE P-38:5 or PE O-38:6ME755056--9.08750.5417
C38:6 PSPS 38:6ME755066--8.03808.5184
C38:7 PC plasmalogenPC P-38:6 or PC O-38:7ME755030--8.89790.5727
C38:7 PE plasmalogenPE P-38:6 or PE O-38:7ME755055--8.89748.5262
C40:10 PCPC 40:10ME755017--8.32826.5341
C40:6 PCPC 40:6ME755018--9.06834.5983
C40:6 PEPE 40:6ME755047--9.06792.5520
C40:6 PSPS 40:6ME755067--8.74836.5375
C40:7 PC plasmalogenPC P-40:7 or PC O-40:8ME755033--9.31818.6031
C40:7 PE plasmalogenPE P-40:6 or PE O-40:7ME755059--9.32776.5571
C41:0 TAGTG 41:0ME755121--10.95731.6150
C42:0 TAGTG 42:0ME755122--11.14745.6303
C42:11 PE plasmalogenPE P-42:11 or PE O-42:12ME755060--9.02796.5242
C43:0 TAGTG 43:0ME755125--11.30759.6463
C43:1 TAGTG 43:1ME755124--11.08757.6306
C43:2 TAGTG 43:2ME755123--10.81755.6150
C44:0 TAGTG 44:0ME755128--11.46773.6612
C44:1 TAGTG 44:1ME755127--11.25771.6459
C44:2 TAGTG 44:2ME755126--11.00769.6302
C45:0 TAGTG 45:0ME755132--11.62787.6778
C45:1 TAGTG 45:1ME755131--11.39785.6616
C45:2 TAGTG 45:2ME755130--11.15783.6458
C45:3 TAGTG 45:3ME755129--11.02781.6306
C46:0 TAGTG 46:0ME755137--11.78801.6933
C46:1 TAGTG 46:1ME755136--11.55799.6766
C46:2 TAGTG 46:2ME755135--11.33797.6614
C46:3 TAGTG 46:3ME755134--11.09795.6457
C46:4 TAGTG 46:4ME755133--10.84793.6302
C47:1 TAGTG 47:1ME755139--11.69813.6929
C47:2 TAGTG 47:2ME755138--11.48811.6768
C48:0 TAGTG 48:0ME755145--12.10829.7234
C48:1 TAGTG 48:1ME755144--11.87827.7077
C48:2 TAGTG 48:2ME755143--11.63825.6920
C48:3 TAGTG 48:3ME755142--11.41823.6761
C48:4 TAGTG 48:4ME755141--11.18821.6610
C48:5 TAGTG 48:5ME755140--10.93819.6459
C49:1 TAGTG 49:1ME755148--12.02841.7254
C49:2 TAGTG 49:2ME755147--11.77839.7093
C49:3 TAGTG 49:3ME755146--11.55837.6926
C50:0 TAGTG 50:0ME755155--12.47857.7555
C50:1 TAGTG 50:1ME755154--12.21855.7390
C50:2 TAGTG 50:2ME755153--11.94853.7234
C50:3 TAGTG 50:3ME755152--11.72851.7075
C50:4 TAGTG 50:4ME755151--11.50849.6917
C50:5 TAGTG 50:5ME755150--11.27847.6765
C50:6 TAGTG 50:6ME755149--11.14845.6612
C51:0 TAGTG 51:0ME755159--12.62871.7710
C51:1 TAGTG 51:1ME755158--12.37869.7555
C51:2 TAGTG 51:2ME755157--12.12867.7388
C51:3 TAGTG 51:3ME755156--11.87865.7234
C52:0 TAGTG 52:0ME755167--12.85885.7871
C52:1 TAGTG 52:1ME755166--12.57883.7708
C52:2 TAGTG 52:2ME755165--12.30881.7545
C52:3 TAGTG 52:3ME755164--12.05879.7386
C52:4 TAGTG 52:4ME755163--11.79877.7230
C52:5 TAGTG 52:5ME755162--11.58875.7070
C52:6 TAGTG 52:6ME755161--11.36873.6922
C52:7 TAGTG 52:7ME755160--11.25871.6767
C53:2 TAGTG 53:2ME755169--12.49895.7711
C53:3 TAGTG 53:3ME755168--12.22893.7549
C54:10 TAGTG 54:10ME755170--9.98893.6624
C54:1 TAGTG 54:1ME755179--12.96911.8027
C54:2 TAGTG 54:2ME755178--12.67909.7866
C54:3 TAGTG 54:3ME755177--12.41907.7703
C54:4 TAGTG 54:4ME755176--12.14905.7544
C54:5 TAGTG 54:5ME755175--11.90903.7387
C54:6 TAGTG 54:6ME755174--11.66901.7223
C54:7 TAGTG 54:7ME755173--11.44899.7075
C54:8 TAGTG 54:8ME755172--11.22897.6925
C54:9 TAGTG 54:9ME755171--11.22895.6784
C55:2 TAGTG 55:2ME755181--12.86923.8029
C55:3 TAGTG 55:3ME755180--12.59921.7867
C56:10 TAGTG 56:10ME755182--11.26921.6930
C56:1 TAGTG 56:1ME755191--13.39939.8340
C56:2 TAGTG 56:2ME755190--13.05937.8184
C56:3 TAGTG 56:3ME755189--12.77935.8027
C56:4 TAGTG 56:4ME755188--12.49933.7866
C56:5 TAGTG 56:5ME755187--12.36931.7705
C56:6 TAGTG 56:6ME755186--12.11929.7540
C56:7 TAGTG 56:7ME755185--11.91927.7390
C56:8 TAGTG 56:8ME755184--11.67925.7231
C56:9 TAGTG 56:9ME755183--11.41923.7079
C58:10 TAGTG 58:10ME755193--11.54949.7236
C58:11 TAGTG 58:11ME755192--11.39947.7084
C58:6 TAGTG 58:6ME755197--12.36957.7852
C58:7 TAGTG 58:7ME755196--12.12955.7708
C58:8 TAGTG 58:8ME755195--12.00953.7550
C58:9 TAGTG 58:9ME755194--11.76951.7393
C60:12 TAGTG 60:12ME755198--11.52973.7236
campesterolCampesterolME755073--7.59401.3777
cholesterolCholesterolME755072--7.57369.3507
coenzyme Q10Coenzyme Q10ME755075--11.28885.6711
NH4_C14:0 CECE 14:0ME755200--11.79614.5853
NH4_C16:0 CECE 16:0ME755202--12.19642.6171
NH4_C16:1 CECE 16:1ME755201--11.89640.6014
NH4_C18:0 CECE 18:0ME755206--12.64670.6487
NH4_C18:0 MAG-ME755213--5.99376.3414
NH4_C18:1 CECE 18:1ME755205--12.28668.6327
NH4_C18:2 CECE 18:2ME755204--11.96666.6170
NH4_C18:3 CECE 18:3ME755203--11.71664.6013
NH4_C20:3 CECE 20:3ME755209--12.09692.6326
NH4_C20:4 CECE 20:4ME755208--11.83690.6169
NH4_C20:5 CECE 20:5ME755207--11.59688.6012
NH4_C22:4 CECE 22:4ME755212--12.22718.6479
NH4_C22:5 CECE 22:5ME755211--11.91716.6325
NH4_C22:6 CECE 22:6ME755210--11.70714.6167
NH4_C30:0 DAG-ME755214--8.90558.5085
NH4_C32:0 DAGDG 32:0ME755217--9.34586.5397
NH4_C32:1 DAGDG 32:1ME755216--9.04584.5239
NH4_C32:2 DAGDG 32:2ME755215--8.72582.5083
NH4_C34:0 DAGDG 34:0ME755221--9.77614.5710
NH4_C34:1 DAGDG 34:1ME755220--9.46612.5552
NH4_C34:2 DAGDG 34:2ME755219--9.17610.5394
NH4_C34:3 DAGDG 34:3ME755218--8.86608.5237
NH4_C36:0 DAG-ME755226--10.13642.6016
NH4_C36:1 DAGDG 36:1ME755225--9.89640.5867
NH4_C36:2 DAGDG 36:2ME755224--9.59638.5710
NH4_C36:3 DAGDG 36:3ME755223--9.30636.5550
NH4_C36:4 DAGDG 36:4ME755222--9.00634.5392
NH4_C38:4 DAG-ME755228--9.45662.5707
NH4_C38:5 DAGDG 38:5ME755227--9.28660.5551
NH4_C41:0 TAGTG 41:0ME755229--10.97726.6595
NH4_C42:0 TAGTG 42:0ME755230--11.14740.6750
NH4_C43:0 TAGTG 43:0ME755233--11.30754.6906
NH4_C43:1 TAGTG 43:1ME755232--11.08752.6750
NH4_C43:2 TAG-ME755231--10.80750.6593
NH4_C44:0 TAGTG 44:0ME755236--11.46768.7059
NH4_C44:1 TAGTG 44:1ME755235--11.25766.6906
NH4_C44:2 TAGTG 44:2ME755234--10.99764.6751
NH4_C45:0 TAGTG 45:0ME755240--11.61782.7212
NH4_C45:1 TAGTG 45:1ME755239--11.40780.7059
NH4_C45:2 TAGTG 45:2ME755238--11.15778.6908
NH4_C45:3 TAGTG 45:3ME755237--10.93776.6747
NH4_C46:0 TAGTG 46:0ME755245--11.78796.7371
NH4_C46:1 TAGTG 46:1ME755244--11.55794.7214
NH4_C46:2 TAGTG 46:2ME755243--11.33792.7061
NH4_C46:3 TAGTG 46:3ME755242--11.09790.6904
NH4_C46:4 TAGTG 46:4ME755241--10.83788.6751
NH4_C47:0 TAGTG 47:0ME755248--11.92810.7526
NH4_C47:1 TAGTG 47:1ME755247--11.70808.7373
NH4_C47:2 TAGTG 47:2ME755246--11.48806.7215
NH4_C48:0 TAGTG 48:0ME755254--12.11824.7685
NH4_C48:1 TAGTG 48:1ME755253--11.87822.7527
NH4_C48:2 TAGTG 48:2ME755252--11.63820.7366
NH4_C48:3 TAGTG 48:3ME755251--11.41818.7210
NH4_C48:4 TAGTG 48:4ME755250--11.18816.7056
NH4_C48:5 TAGTG 48:5ME755249--10.93814.6905
NH4_C49:0 TAGTG 49:0ME755258--12.25838.7845
NH4_C49:1 TAGTG 49:1ME755257--12.03836.7686
NH4_C49:2 TAGTG 49:2ME755256--11.78834.7524
NH4_C49:3 TAGTG 49:3ME755255--11.56832.7367
NH4_C50:0 TAGTG 50:0ME755265--12.46852.8003
NH4_C50:1 TAGTG 50:1ME755264--12.20850.7842
NH4_C50:2 TAGTG 50:2ME755263--11.96848.7684
NH4_C50:3 TAGTG 50:3ME755262--11.71846.7521
NH4_C50:4 TAGTG 50:4ME755261--11.50844.7368
NH4_C50:5 TAGTG 50:5ME755260--11.26842.7213
NH4_C50:6 TAGTG 50:6ME755259--11.14840.7064
NH4_C51:0 TAGTG 51:0ME755269--12.64866.8161
NH4_C51:1 TAGTG 51:1ME755268--12.36864.7999
NH4_C51:2 TAG-ME755267--12.13862.7840
NH4_C51:3 TAG-ME755266--11.87860.7680
NH4_C52:0 TAGTG 52:0ME755277--12.85880.8317
NH4_C52:1 TAGTG 52:1ME755276--12.57878.8159
NH4_C52:2 TAGTG 52:2ME755275--12.30876.7997
NH4_C52:3 TAGTG 52:3ME755274--12.05874.7840
NH4_C52:4 TAGTG 52:4ME755273--11.79872.7677
NH4_C52:5 TAGTG 52:5ME755272--11.58870.7523
NH4_C52:6 TAGTG 52:6ME755271--11.37868.7370
NH4_C52:7 TAGTG 52:7ME755270--11.25866.7221
NH4_C53:2 TAGTG 53:2ME755279--12.47890.8159
NH4_C53:3 TAGTG 53:3ME755278--12.22888.7994
NH4_C54:1 TAGTG 54:1ME755287--12.96906.8477
NH4_C54:2 TAGTG 54:2ME755286--12.67904.8316
NH4_C54:3 TAGTG 54:3ME755285--12.39902.8155
NH4_C54:4 TAGTG 54:4ME755284--12.14900.7996
NH4_C54:5 TAGTG 54:5ME755283--11.89898.7837
NH4_C54:6 TAGTG 54:6ME755282--11.66896.7677
NH4_C54:7 TAGTG 54:7ME755281--11.44894.7517
NH4_C54:8 TAGTG 54:8ME755280--11.22892.7373
NH4_C55:2 TAGTG 55:2ME755289--12.86918.8474
NH4_C55:3 TAGTG 55:3ME755288--12.57916.8311
NH4_C56:10 TAGTG 56:10ME755290--11.20916.7363
NH4_C56:1 TAGTG 56:1ME755299--13.37934.8786
NH4_C56:2 TAGTG 56:2ME755298--13.05932.8633
NH4_C56:3 TAGTG 56:3ME755297--12.77930.8475
NH4_C56:4 TAG-ME755296--12.48928.8312
NH4_C56:5 TAGTG 56:5ME755295--12.36926.8151
NH4_C56:6 TAGTG 56:6ME755294--12.11924.7991
NH4_C56:7 TAGTG 56:7ME755293--11.91922.7833
NH4_C56:8 TAGTG 56:8ME755292--11.68920.7676
NH4_C56:9 TAGTG 56:9ME755291--11.41918.7531
NH4_C58:10 TAGTG 58:10ME755301--11.55944.7676
NH4_C58:11 TAGTG 58:11ME755300--11.39942.7534
NH4_C58:6 TAGTG 58:6ME755305--12.36952.8307
NH4_C58:7 TAGTG 58:7ME755304--12.12950.8141
NH4_C58:8 TAGTG 58:8ME755303--12.00948.7994
NH4_C58:9 TAGTG 58:9ME755302--11.77946.7820
NH4_C60:12 TAGTG 60:12ME755306--11.53968.7680
N-OleoylethanolamineOleoyl-EAME755070--6.13326.3054
palmitoylethanolamidePalmitoyl-EAME755069--5.12300.2890
piperinePiperineME755074--3.74286.1431
sphingosineSphingosineME755068--4.36300.2891


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