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Analysis: 6530 Q-TOF/C18 NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
16:0-18:0 PC (M+Cl)-PC 16:0_18:0ME22067218631368-25.409761.6024
16:0 LYSO PC (M+Cl)-LPC 16:0ME220671460602-22.249495.3339
18:0 LYSO-PE (M-H)-LPE 18:0ME2206739547068-22.655481.3182
1-METHYLURIC ACID (M-H)-1-Methyluric acidME22066969726-2.181182.0437
1-METHYLXANTHINE (M-H)-1-MethylxanthineME22067080220-2.526166.0484
24:0 SM (D18:1/24:0) (M+Cl)-SM 18:1;O2/24:0ME22067644260127-27.749814.6934
2-DEOXY-D-GLUCOSE (M+Cl)-2-Deoxy-glucoseME220674439268-0.664164.0678
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME220675853180-3.515118.0629
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME220677440177-3.826182.0574
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-3-Hydroxymethylglutaric acidME2206781662-1.555162.0505
3-METHYLXANTHINE (M-H)-3-MethylxanthineME22067970639-2.391166.0485
4-ACETAMINOPHEN SULFATE (M-H)-Paracetamol sulfateME22068083939-2.401231.0198
4-NITROPHENOL (M-H)-4-NitrophenolME220681980-7.009139.0266
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME2206826723-1.857183.0527
5-AMINOPENTANOIC ACID (M-H)-5-Aminopentanoic acidME220683138-0.734117.0771
5-HYDROXY OMEPRAZOLE (M-H)-5-HydroxyomeprazoleME220684119560-12.184361.1091
5-HYDROXYTRYPTOPHAN (M-H)-5-Hydroxy-tryptophanME220685439280-1.81220.083
5-OXOPROLINE (M-H)-Pyroglutamic acidME2206867405-1.173129.0426
ACETAMINOPHEN (TN TYLENOL) (M-H)-AcetaminophenME2206871983-3.054151.063
ADENOSINE (M+Cl)-AdenosineME22068860961-1.644267.0959
ADIPIC ACID (M-H)-Adipic acidME220689196-3.565146.0577
ALLANTOIN (M-H)-AllantoinME220690439714-0.64158.0418
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-2-Hydroxyisobutyric acidME220691440873-1.735104.0475
ARACHIDIC ACID (M-H)-Arachidic acidME22069210467-23.599312.3027
ARACHIDONIC ACID (M-H)-Arachidonic acidME220693444899-22.692304.2408
AZELAIC ACID (M-H)-Azelaic acidME2206942266-10.811188.1044
BEHENIC ACID (M-H)-Behenic acidME2206958215-24.121340.3338
BILIVERDIN (M-H)-BiliverdinME2206965280353-18.492582.2495
CHOLIC ACID (M+Cl)-Cholic acidME220697221493-20.487408.2872
CHOLIC ACID (M-H)-Cholic acidME220698221493-20.489408.2873
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2206995282768-23.253310.2871
CITRIC ACID (M-H)-Citric acidME220700311-1.007192.0268
CITRULLINE (M-H)-CitrullineME2207019750-0.621175.0941
CORTICOSTERONE (M+Cl)-CorticosteroneME2207025753-15.498346.2144
CORTISOL (M+Cl)-CortisolME2207035754-13.913362.2094
CORTISONE (M+Cl)-CortisoneME220704222786-13.481360.1938
CREATINE (M-H)-CreatineME220705586-0.641131.0685
CYSTINE (M-H)-CystineME2207066857538-0.646240.0218
DEHYDROASCORBIC ACID (M-H)-L-Dehydroascorbic acidME220707440667-0.819174.0158
DEHYDROEPIANDROSTERONE SULFATE (M-H)-Dehydroepiandrosterone sulfateME22070812594-15.207368.1669
DEOXYCHOLIC ACID (M+Cl)-Deoxycholic acidME220709222528-21.733392.2934
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME220710222528-21.741392.2932
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME220711445580-22.678328.2406
DUMP (M-H)-dUMPME22071265063-0.941308.041
EPIBRASSINOLIDE [ISTD] (M+Cl)-24-epi-BrassinolideME220713115196-19.924480.3459
ERUCIC ACID (M-H)-cis-Erucic acidME2207145281116-23.668338.3185
GERANYLGERANYL DIPHOSPHATE (M-H)-Geranylgeranyl diphosphateME220715447277-23.237450.1869
GLUCONIC ACID (M-H)-Gluconic acidME22071610690-0.623196.0576
GLUCOSE (M+Cl)-GlucoseME2207175793-0.629180.0633
GLUTAMIC ACID (M-H)-Glutamic acidME22071833032-0.63147.0524
GLUTAMINE (M-H)-GlutamineME2207195961-0.599146.0681
GLUTARIC ACID (M-H)-Glutaric acidME220720743-2.042132.042
GLYCEROL MYRISTATE (M+Cl)-MG 14:0ME22072179050-22.145302.2502
GLYCOCHOLIC ACID (M-H)-Glycocholic acidME22072210140-19.008465.3088
GLYCOLITHOCHOLIC ACID (M-H)-Glycolithocholic acidME220723115245-21.597433.3187
GUANOSINE (M+Cl)-GuanosineME2207246802-1.795283.0912
GUANOSINE (M-H)-GuanosineME2207256802-1.795283.0941
HEPTADECANOIC ACID (M-H)-Margaric acidME22072610465-22.997270.2556
HEXACOSANOIC ACID (M-H)-Cerotic acidME22072710469-25.784396.3963
HIPPURIC ACID (M-H)-Hippuric acidME220728464-4.824179.0579
HOMOVANILLIC ACID (2M-H)-Homovanillic acidME2207291738-5.749182.0585
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2207305283820-22.872392.2953
HYPOXANTHINE (M-H)-HypoxanthineME220731790-1.059136.0384
IBUPROFEN CARBOXYLIC ACID (2M-H)--ME22073210444113-13.094236.1052
IBUPROFEN CARBOXYLIC ACID (M+Cl)--ME22073310444113-13.088236.1044
IBUPROFEN CARBOXYLIC ACID (M-H)--ME22073410444113-13.092236.1047
INOSINE 5'-DIPHOSPHATE (M-H)-IDPME2207366831-0.735428.0168
INOSINE 5'-PHOSPHATE (M-H)-IMPME2207378582-0.938348.0432
INOSINE (M-H)-InosineME2207356021-1.803268.0801
ISOCITRIC ACID (M-H)-Isocitric acidME2207385318532-0.726192.0263
ISOLEUCINE (M-H)-IsoleucineME2207396306-1.591131.0937
KYNURENINE (M-H)-KynurenineME220740161166-2.208208.0815
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME220746227-5.257138.0445
L-ARGININE (M-H)-ArginineME2207416322-0.592174.111
LAURIC ACID (M-H)-Lauric acidME2207473893-21.776200.1773
L-CARNITINE (M+Cl)-CarnitineME22074210917-0.621161.102
L-HISTIDINE (M-H)-HistidineME2207436274-0.586155.069
LIGNOCERIC ACID (M-H)-Lignoceric acidME22074811197-24.822368.3654
LINOLEIC ACID (M-H)-Linoleic acidME2207495280450-22.709280.2408
L-METHIONINE SULFOXIMINE (M-H)-Methionine sulfoximineME22074489034-0.629180.06
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME22074516217285-3.694206.0839
LYSINE (M-H)-LysineME2207505962-0.515146.1049
MIMOSINE (M-H)-MimosineME220751440473-0.667198.0664
MYRISTIC ACID (M-H)-Myristic acidME22075211005-22.446228.2089
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2207535281119-22.061226.1928
N-ACETYL-ASPARTIC ACID (M-H)-N-Acetylaspartic acidME22075465065-0.945175.0467
N-ACETYL-D-GLUCOSAMINE (M+Cl)-N-Acetyl-D-glucosamineME220755446101-0.639221.0902
N-ACETYL-DL-METHIONINE (M-H)-N-AcetylmethionineME220756448580-4.105191.0606
N-ACETYLGLYCINE (M-H)-N-AcetylglycineME2207601097-0.898117.0427
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME22075788064-1.484131.0578
N-ACETYL-L-LEUCINE (M-H)-N-AcetylleucineME22075875619-7.213173.1044
N-ACETYL-L-PHENYLALANINE (M-H)-N-AcetylphenylalanineME22075974839-7.766207.0888
N-ACETYLNEURAMINIC ACID (M-H)-N-Acetylneuraminic acidME220761444885-0.651309.1047
N-AMIDINO-ASPARTIC ACID (M+Cl)+[-H2O]Guanidinosuccinic acidME220762439918-0.731175.0606
NAPROXEN (M-H)-NaproxenME220763156391-15.816230.0938
NERVONIC ACID (M-H)-Nervonic acidME2207645281120-24.196366.3491
OLEIC ACID (M-H)-Oleic acidME220766445639-22.913282.2564
OLEOYL-GLYCEROL (M+Cl)-MG 18:1ME2207675319879-22.702356.2978
O-SUCCINYL-L-HOMOSERINE (M-H)-o-SuccinylhomoserineME220765439406-0.921219.0735
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME220768970-0.545132.0035
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)-p-AcetamidophenylglucuronideME22076983944-2.239327.0953
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-p-AcetamidophenylglucuronideME22077083944-2.243327.0953
PALMITIC ACID (M-H)-Palmitic acidME220771985-22.833256.2406
PALMITOLEIC ACID (M-H)-Palmitoleic acidME220772445638-22.571254.2246
PANTOTHENIC ACID (M-H)-Pantothenic acidME2207736613-3.286219.1098
PHENYLALANINE (M-H)-PhenylalanineME2207746140-2.556165.0783
PHYTANIC ACID (M-H)-Phytanic acidME22077510380830-23.262312.302
PIMELIC ACID (M-H)-Pimelic acidME220776385-5.725160.0727
PROSTAGLANDIN E2 (M+Cl)-PGE2ME2207775280360-16.848352.2196
RAFFINOSE (M+Cl)-RaffinoseME220778439242-0.657504.1681
RIBOSE (M+Cl)-RiboseME2207795779-0.637150.0531
SALICYLURIC ACID (M-H)-Salicyluric acidME22078010253-6.26195.053
SEBACIC ACID (M-H)-Sebacic acidME2207815192-13.035202.1203
SERINE (M-H)-SerineME220782617-0.598105.0439
STACHYOSE (M+Cl)-StachyoseME220783439531-0.656666.2186
STEARIC ACID (M-H)-Stearic acidME2207845281-23.182284.2718
SUBERIC ACID (M-H)-Suberic acidME22078510457-8.314174.0885
SUCCINIC ACID (M-H)-Succinic acidME2207861110-1.293118.0265
SUCROSE (M+Cl)-SucroseME2207875988-0.648342.1156
TAURINE (M-H)-TaurineME2207881123-0.6125.015
THEOPHYLLINE (M-H)-TheophyllineME2207892153-4.42180.0641
THYROXINE (M-H)-ThyroxineME2207905819-16.272776.6865
TRICARBALLYLIC ACID (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME22079114925-1.239176.0299
TRICOSANOIC ACID (M-H)-Tricosylic acidME22079217085-24.446354.3494
TRIDECANOIC ACID (M-H)-Tridecylic acidME22079312530-22.154214.1923
TRYPTOPHAN (2M-H)-TryptophanME2207946305-3.691204.0891
TRYPTOPHAN (M-H)-TryptophanME2207956305-3.697204.0893
TYROSINE (M-H)-TyrosineME2207966057-1.338181.0733
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-UDP-N-acetylgalactosamineME22079723724461-0.87607.0811
URACIL (M-H)-UracilME2207981174-0.92112.0265
URIC ACID (M-H)-Uric acidME2207991175-0.974168.028
URIDINE (M+Cl)-UridineME2208006029-1.334244.0695
URIDINE (M-H)-UridineME2208016029-1.335244.0688
VALINE (M-H)-ValineME2208026287-0.825117.0771
XANTHINE (M-H)-XanthineME2208031188-1.228152.0329
XANTHOSINE (M-H)-XanthosineME22080464959-2.289284.0758
ZEATIN [ISTD] (M+Cl)-trans-ZeatinME220805449093-3.752219.1117
ZEATIN [ISTD] (M-H)-trans-ZeatinME220806449093-3.768219.1118


Analysis: 6530 Q-TOF/C18 POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-HYDROXYDECANOIC ACID (M+H)+[-H2O]10-Hydroxydecanoic acidME2208116991989-13.628188.1399
10-HYDROXYDECANOIC ACID (M+Na)+10-Hydroxydecanoic acidME2208126991989-13.642188.1408
16:0-18:0 PC (M+H)+PC 16:0_18:0ME22081518631368-25.424761.5953
16:0 LYSO PC (M+H)+LPC 16:0ME220813460602-22.256495.3336
16:0 LYSO PC (M+Na)+LPC 16:0ME220814460602-22.263495.3342
18:0 LYSO-PE (M+H)+LPE 18:0ME2208169547068-22.668481.3187
18:0 LYSO-PE (M+Na)+LPE 18:0ME2208179547068-22.664481.3221
1-METHYLADENOSINE (M+H)+1-MethyladenosineME22080727476-2.836281.114
1-METHYLURIC ACID (M+H)+1-Methyluric acidME22080869726-2.185182.0425
1-METHYLXANTHINE (M+H)+1-MethylxanthineME22080980220-2.53166.049
1-METHYLXANTHINE (M+Na)+1-MethylxanthineME22081080220-2.549166.0487
20:0 LYSO PC (M+H)+LPC 20:0ME22082424779473-22.941551.3961
20:0 LYSO PC (M+Na)+LPC 20:0ME22082524779473-22.993551.4
24:0 SM (D18:1/24:0) (M+H)+SM 18:1;O2/24:0ME22082644260127-27.772814.6936
24:0 SM (D18:1/24:0) (M+Na)+SM 18:1;O2/24:0ME22082744260127-27.766814.6941
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]25-HydroxycholesterolME22082865094-22.788402.3461
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+PhosphoethanolamineME2208191015-0.614141.0207
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+Na)+PhosphoethanolamineME2208201015-0.614141.0211
2-DEOXY-D-GLUCOSE (M+Na)+2-Deoxy-glucoseME220821439268-0.669164.0669
2'-DEOXYGUANOSINE (M+H)+DeoxyguanosineME220818187790-1.675267.0968
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+2-Hydroxy-4-(methylthio)butanoic acidME22082211427-3.454150.0328
2-HYDROXYBUTYRIC ACID (M+Na)+2-Hydroxybutyric acidME22082311266-1.753104.0472
3-(4-HYDROXYPHENYL)LACTIC ACID (M+Na)+Hydroxyphenyllactic acidME220829440177-3.835182.0593
3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+3-Amino-4-hydroxybenzoic acidME22083065083-1.016153.0399
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]3-DehydroshikimateME220831439774-0.921172.0354
3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+[-H2O]3-Hydroxymethylglutaric acidME2208321662-1.508162.0501
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]3-HydroxybenzaldehydeME220833101-4.819122.0371
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+CAR 12:0;OHME22083471464535-16.018359.2695
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME2208359307-1.949211.0845
3-METHYL-2-OXINDOLE (M+H)+3-MethyloxindoleME220836150923-9.442147.0682
3-METHYLXANTHINE (M+H)+3-MethylxanthineME22083770639-2.241166.0511
4-ACETAMIDOBUTANOIC ACID (M+H)+4-Acetamidobutanoic acidME22083818189-1.732145.0731
4-ACETAMIDOBUTANOIC ACID (M+Na)+4-Acetamidobutanoic acidME22083918189-1.783145.0727
4-ACETAMINOPHEN SULFATE (M+H)+Paracetamol sulfateME22084083939-2.398231.0202
4-ACETAMINOPHEN SULFATE (M+Na)+Paracetamol sulfateME22084183939-2.386231.0224
4-GUANIDINOBUTANOIC ACID (M+H)+4-Guanidinobutanoic acidME220842500-0.853145.084
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]VanylglycolME220843688030-2.483184.0728
4-HYDROXY-L-PROLINE (M+H)+cis-4-HydroxyprolineME220844440015-0.649131.0596
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+4-Quinolinecarboxylic acidME22084510243-4.947173.0462
5-AMINOLEVULINIC ACID (M+Na)+5-Amino-levulinic acidME220847137-0.651131.06
5-AMINOPENTANOIC ACID (M+H)+5-Aminopentanoic acidME220848138-0.69117.0782
5-HYDROXYTRYPTOPHAN (M+H)+5-Hydroxy-tryptophanME220849439280-1.792220.0841
5-METHYLCYTOSINE (2M+H)+5-MethylcytosineME22085065040-0.658125.059
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME220846439176-4.341297.0917
5-OXOPROLINE (M+H)+Pyroglutamic acidME2208517405-1.166129.0435
5-OXOPROLINE (M+Na)+Pyroglutamic acidME2208527405-1.152129.0427
5-VALEROLACTONE (M+H)+5-ValerolactoneME22085310953-2.152100.0526
ACETAMINOPHEN (TN TYLENOL) (M+H)+AcetaminophenME2208541983-3.059151.0634
ACETAMINOPHEN (TN TYLENOL) (M+Na)+AcetaminophenME2208551983-3.058151.0635
ACETYLCARNITINE (M+H)+CAR 2:0ME22085618230-0.914203.1154
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2208576083-0.915347.0608
ADIPIC ACID (M+H)+Adipic acidME220858196-3.569146.0578
ADIPIC ACID (M+Na)+Adipic acidME220859196-3.558146.058
ALLANTOIN (M+H)+AllantoinME220860439714-0.617158.0466
ALLANTOIN (M+Na)+AllantoinME220861439714-0.675158.0451
ALLOPREGNANOLONE (M+Na)+3alpha-Hydroxy-5alpha-pregnan-20-oneME22086292787-20.741318.2587
ALPHA-LINOLENIC ACID (M+Na)+alpha-Linolenic acidME2208635280934-22.831278.2229
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME22086414985-24.522430.3801
ANDROSTERONE (M+Na)+AndrosteroneME2208655879-19.577290.2302
ASPARAGINE (M+H)+AsparagineME2208666267-0.644132.0526
ASPARAGINE (M+Na)+AsparagineME2208676267-0.639132.0539
ASPARTIC ACID (M+Na)+Aspartic acidME2208685960-0.62133.0375
AZELAIC ACID (M+H)+Azelaic acidME2208692266-10.803188.1039
AZELAIC ACID (M+H)+[-H2O]Azelaic acidME2208702266-10.802188.1044
AZELAIC ACID (M+Na)+Azelaic acidME2208712266-10.804188.1058
BILIVERDIN (M+H)+BiliverdinME2208725280353-18.489582.2486
BILIVERDIN (M+Na)+BiliverdinME2208735280353-18.489582.2492
BIOTIN (M+H)+BiotinME22087411966127-6.303244.0844
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2208758343-23.079390.2793
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+bis(2-Ethylhexyl)phthalic acidME2208768343-23.076390.2782
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME220877213144-2.886231.1474
CAFFEINE (M+H)+CaffeineME2208782519-5.89194.082
CAFFEINE (M+Na)+CaffeineME2208792519-5.89194.0819
CALCIDIOL (M+H)+25-Hydroxyvitamin D3ME2208805283731-22.679400.327
CALCIDIOL (M+H)+[-H2O]25-Hydroxyvitamin D3ME2208815283731-22.561400.3282
CARNITINE (M+H)+CarnitineME22088210917-0.633161.1046
CARNOSINE (M+H)+CarnosineME220883439224-0.641226.106
CARNOSINE (M+Na)+CarnosineME220884439224-0.654226.106
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]Cholesterol sulfateME22088665076-23.867466.3115
CHOLESTEROL (M+H)+[-H2O]CholesterolME2208855997-24.62386.3556
CHOLINE PHOSPHATE (M+H)+Choline phosphateME2208871014-0.622183.0668
CITRIC ACID (M+H)+[-H2O]Citric acidME220888311-1.015192.0269
CITRIC ACID (M+Na)+Citric acidME220889311-1.007192.0274
CITRULLINE (M+H)+CitrullineME2208909750-0.661175.0942
CITRULLINE (M+Na)+CitrullineME2208919750-0.644175.0955
CORTICOSTERONE (M+H)+CorticosteroneME2208925753-15.478346.2146
CORTICOSTERONE (M+Na)+CorticosteroneME2208935753-15.479346.2164
CORTISOL (M+H)+CortisolME2208945754-13.897362.2105
CORTISOL (M+Na)+CortisolME2208955754-13.899362.2102
CORTISONE (M+H)+CortisoneME220896222786-13.47360.1944
CORTISONE (M+Na)+CortisoneME220897222786-13.47360.1954
CREATINE (M+H)+CreatineME220898586-0.666131.0679
CREATININE (M+H)+CreatinineME220899588-0.677113.0583
CREATININE (M+Na)+CreatinineME220900588-0.686113.0579
CYSTATHIONINE (M+H)+CystathionineME220901439258-0.622222.0665
CYSTATHIONINE (M+H)+[-H2O]CystathionineME220902439258-0.661222.0649
CYSTATHIONINE (M+Na)+CystathionineME220903439258-0.641222.0679
CYSTEIC ACID (M+H)+Cysteic acidME22090472886-0.635187.0185
CYSTINE (M+H)+CystineME2209056857538-0.718240.02
CYSTINE (M+Na)+CystineME2209066857538-0.6240.0201
DECANOIC ACID (2M+Na)+Capric acidME2209092969-22.722172.1447
DECENOYLCARNITINE (*) (M+H)+CAR 10:1ME22091057357170-13.705313.2255
DEOXYCHOLIC ACID (M+Na)+Deoxycholic acidME220911222528-21.636392.292
DEPHOSPHO-COA (M+Na)+3'-Dephospho-CoAME220912444485-3.691687.1576
DESMOSTEROL (M+H)+[-H2O]DesmosterolME220913439577-24.175384.3404
DETHIOBIOTIN (M+H)+[-H2O]DethiobiotinME220914445027-8.085214.132
D-GLUCOSAMINE 6-SULFATE (M+H)+[-H2O]Glucosamine 6-sulfateME2209083330962-0.608259.034
D-GLUCOSAMINE (M+H)+GlucosamineME220907439213-0.658179.0805
DOXYLAMINE (M+H)+DoxylamineME2209153162-5.957270.1714
DUMP (M+H)+dUMPME22091665063-0.943308.043
EICOSADIENOYLCARNITINE (*) (M+H)+CAR 20:2ME22091771464509-21.698451.3612
EICOSENOYLCARNITINE (*) (M+H)+CAR 20:1ME22091871464507-21.919453.3766
ELAIDIC ACID (M+H)+Elaidic acidME220919637517-22.911282.2562
ELAIDIC ACID (M+Na)+Elaidic acidME220920637517-22.91282.2544
EPIBRASSINOLIDE [ISTD] (M+H)+24-epi-BrassinolideME220921115196-19.917480.3467
EPIBRASSINOLIDE [ISTD] (M+Na)+24-epi-BrassinolideME220922115196-19.917480.3468
EPINEPHRINE (M+H)+EpinephrineME2209235816-0.668183.0919
ERYTHRITOL (M+Na)+ErythritolME220924222285-0.675122.057
ESTRONE (M+H)+EstroneME2209255870-16.369270.1599
GALACTITOL OR DULCITOL (M+Na)+GalactitolME22092611850-0.657182.0779
GENTISURIC ACID (M+H)+-ME220927161488-4.318211.0517
GLUCOSE (2M+Na)+GlucoseME2209285793-0.65180.0608
GLUCOSE (M+Na)+GlucoseME2209295793-0.684180.0624
GLUTAMIC ACID (M+H)+Glutamic acidME22093033032-0.656147.0522
GLUTAMIC ACID (M+H)+[-H2O]Glutamic acidME22093133032-0.601147.0525
GLUTARYLCARNITINE (*) (M+H)+CAR DC5:0ME22093253481622-1.884275.1374
GLUTATHIONE OXIDIZED (M+H)+GlutathioneME22093365359-1.364612.1521
GLUTATHIONE OXIDIZED (M+H2)+2GlutathioneME22093465359-1.364612.1414
GLYCEROL MYRISTATE (M+H)+MG 14:0ME22093579050-22.145302.2431
GLYCEROL MYRISTATE (M+H)+[-H2O]MG 14:0ME22093679050-22.109302.2478
GLYCEROL MYRISTATE (M+Na)+MG 14:0ME22093779050-22.152302.2473
GLYCINE (M+H)+GlycineME220938750-0.69475.0316
GLYCOCHENODEOXYCHOLIC ACID (M+H)+Glycochenodeoxycholic acidME2209399548796-20.389449.3131
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]Glycochenodeoxycholic acidME2209409548796-20.385449.3151
GLYCOCHENODEOXYCHOLIC ACID (M+Na)+Glycochenodeoxycholic acidME2209419548796-20.386449.3148
GLYCOCHOLIC ACID (M+H)+Glycocholic acidME22094210140-18.982465.3073
GLYCOCHOLIC ACID (M+H)+[-H2O]Glycocholic acidME22094310140-18.747465.3089
GLYCOLITHOCHOLIC ACID (M+H)+[-H2O]Glycolithocholic acidME220944115245-21.599433.3163
GUANOSINE (M+H)+GuanosineME2209456802-1.78283.0924
HEXANOYLCARNITINE (*) M+CAR 6:0ME2209463246939-7.115260.1866
HIPPURIC ACID (M+H)+Hippuric acidME220947464-4.817179.0589
HIPPURIC ACID (M+Na)+Hippuric acidME220948464-4.817179.0588
HISTAMINE (M+Na)+HistamineME220949774-0.654111.0801
HOMOCYSTEINE (M+H)+HomocysteineME22095091552-0.66135.0371
HOMOGENTISIC ACID (M+H)+Homogentisic acidME220951780-2.073168.04
HOMOGENTISIC ACID (M+H)+[-H2O]Homogentisic acidME220952780-2.22168.0406
HOMOSERINE (M+Na)+HomoserineME22095312647-0.603119.0566
HYPOXANTHINE (M+H)+HypoxanthineME220954790-1.037136.0386
HYPOXANTHINE (M+Na)+HypoxanthineME220955790-1.028136.0371
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]-ME22095610444113-13.068236.1056
IBUPROFEN CARBOXYLIC ACID (M+Na)+-ME22095710444113-13.089236.1057
INDOLE-3-ACETIC ACID (M+Na)+Indoleacetic acidME220958802-8.432175.0636
INOSINE 5'-PHOSPHATE (M+H)+IMPME2209618582-0.982348.0477
INOSINE (M+H)+InosineME2209596021-1.801268.0825
INOSINE (M+Na)+InosineME2209606021-1.768268.0812
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME220962168379-2.825231.1471
ISOLEUCINE (M+H)+IsoleucineME2209636306-1.596131.0948
ISOLEUCINE (M+Na)+IsoleucineME2209646306-1.551131.0937
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME220965169235-4.622245.1631
KYNURENINE (M+H)+KynurenineME220966161166-2.205208.082
KYNURENINE (M+Na)+KynurenineME220967161166-2.153208.0822
L-ARGININE (M+H)+ArginineME2209686322-0.597174.1114
L-ARGININE (M+Na)+ArginineME2209696322-0.577174.1114
LAURIC ACID (M+Na)+Lauric acidME2209753893-18.071200.1782
LAUROYLCARNITINE (M+H)+CAR 12:0ME220976168381-17.762343.2715
LEUKOTRIENE B4 (M+H)+LTB4ME2209775280492-20.738336.2288
LEUKOTRIENE B4 (M+Na)+LTB4ME2209785280492-20.623336.231
L-HISTIDINE (M+H)+HistidineME2209706274-0.593155.0682
L-HISTIDINE (M+Na)+HistidineME2209716274-0.597155.0696
L-HISTIDINOL (M+H)+L-HistidinolME220972165271-0.483141.0889
LITHOCHOLIC ACID (M+Na)+Lithocholic acidME2209799903-22.269376.3034
L-RHAMNOSE (2M+Na)+RhamnoseME22097325310-0.667164.0694
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME22097416217285-3.692206.0845
LYSINE (M+H)+LysineME2209805962-0.518146.1056
LYSINE (M+Na)+LysineME2209815962-0.531146.1045
MALIC ACID (M+Na)+Malic acidME220983222656-0.727134.0233
METHIONINE (M+H)+MethionineME2209846137-0.971149.0509
MEVALONIC ACID (M+Na)+Mevalonic acidME220985439230-1.558148.0728
M-HYDROXYMANDELIC ACID (M+H)+[-H2O]3-Hydroxymandelic acidME22098286957-2.054168.0404
N-ACETYL-ASPARTIC ACID (M+Na)+N-Acetylaspartic acidME22098865065-0.946175.0482
N-ACETYL-D-GLUCOSAMINE (M+Na)+N-Acetyl-D-glucosamineME220989446101-0.662221.0915
N-ACETYL-DL-SERINE (M+H)+N-AcetylserineME22099065249-0.764147.0533
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME22099165249-0.915147.0543
N-ACETYL-DL-SERINE (M+Na)+N-AcetylserineME22099265249-0.834147.0508
N-ACETYLGLYCINE (M+Na)+N-AcetylglycineME2209981097-0.897117.0415
N-ACETYL-L-ALANINE (M+H)+N-AcetylalanineME22099388064-1.419131.0589
N-ACETYL-L-ALANINE (M+Na)+N-AcetylalanineME22099488064-1.474131.0572
N-ACETYL-L-LEUCINE (M+H)+N-AcetylleucineME22099575619-7.203173.1051
N-ACETYL-L-LEUCINE (M+Na)+N-AcetylleucineME22099675619-7.205173.1062
N-ACETYL-L-PHENYLALANINE (M+Na)+N-AcetylphenylalanineME22099774839-7.758207.0906
N-ACETYLNEURAMINIC ACID (M+Na)+N-Acetylneuraminic acidME220999444885-0.664309.1033
NAD (M+2H)+2NAD+ME2210045893-1.039663.1062
N-ALPHA-ACETYL-L-LYSINE (M+H)+N(2)-AcetyllysineME22100092907-0.625188.1163
NAPROXEN (M+H)+NaproxenME221005156391-15.811230.0949
NAPROXEN (M+Na)+NaproxenME221006156391-15.813230.0951
N-CYCLOHEXYLFORMAMIDE (M+H)+N-CyclohexylformamideME22100113017-7.923127.0995
N-CYCLOHEXYLFORMAMIDE (M+Na)+N-CyclohexylformamideME22100213017-7.914127.0994
NICOTINAMIDE (M+H)+NiacinamideME221007936-0.992122.0472
N-METHYL-ASPARTIC ACID (M+Na)+N-Methyl-D-aspartic acidME2210034376-0.604147.0507
NORADRENALINE (M+H)+[-H2O]Xi-NorepinephrineME221008951-0.583169.0712
N(PAI)-METHYL-L-HISTIDINE (M+H)+3-MethylhistidineME22098664969-0.581169.0845
N(PAI)-METHYL-L-HISTIDINE (M+Na)+3-MethylhistidineME22098764969-0.592169.0866
OCTENOYLCARNITINE (*) M+CAR 8:1ME22100971464472-9.577286.2024
OLEAMIDE (M+H)+OleamideME2210105283387-22.612281.2691
OLEIC ACID (M+H)+Oleic acidME221011445639-22.528282.2555
OLEIC ACID (M+Na)+Oleic acidME221012445639-22.536282.2548
OLEOYL-GLYCEROL (M+H)+MG 18:1ME2210135319879-22.695356.2929
OLEOYL-GLYCEROL (M+H)+[-H2O]MG 18:1ME2210145319879-22.696356.2888
OLEOYL-GLYCEROL (M+Na)+MG 18:1ME2210155319879-22.696356.2936
OMEGA-HYDROXYDODECANOIC ACID (M+H)+[-H2O]12-Hydroxy lauric acidME22101679034-17.105216.171
OMEGA-HYDROXYDODECANOIC ACID (M+Na)+12-Hydroxy lauric acidME22101779034-17.014216.1701
OMEPRAZOLE SULFONE (M+H)+Omeprazole sulfoneME221018145900-12.177361.1116
ORNITHINE (M+H)+OrnithineME2210196262-0.517132.0899
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+p-AcetamidophenylglucuronideME22102083944-2.242327.0958
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+p-AcetamidophenylglucuronideME22102183944-2.242327.0963
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+Na)+p-AcetamidophenylglucuronideME22102283944-2.24327.0962
PANTOTHENIC ACID (M+H)+Pantothenic acidME2210236613-3.283219.111
PANTOTHENIC ACID (M+Na)+Pantothenic acidME2210246613-3.281219.111
PHENYL ACETATE (M+H)+Phenyl acetateME221025999-3.65136.0514
PHENYLALANINE (M+H)+PhenylalanineME2210266140-2.472165.0782
PHENYLALANINE (M+Na)+PhenylalanineME2210276140-2.567165.078
PIMELIC ACID (M+H)+[-H2O]Pimelic acidME221028385-5.722160.0715
PIMELIC ACID (M+Na)+Pimelic acidME221029385-5.74160.0719
PIPECOLIC ACID (M+H)+Pipecolic acidME221030849-0.884129.0764
PREGNENOLONE (M+Na)+PregnenoloneME2210318955-20.239316.2444
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+-ME22103283228-0.649162.1027
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+[-H2O]-ME22103383228-0.653162.1009
PROGESTERONE (M+H)+ProgesteroneME2210345994-19.573314.2234
PROLINE (M+H)+ProlineME221035145742-0.665115.0627
PROLINE (M+Na)+ProlineME221036145742-0.659115.063
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME221037107738-1.632217.1312
PROSTAGLANDIN E2 (M+H)+PGE2ME2210385280360-16.835352.2279
PROTOPORPHYRIN (M+H)+ProtoporphyrinME2210394971-22.905562.26
PURINE (M+H)+PurineME2210401044-1.323120.0437
RAFFINOSE (M+Na)+RaffinoseME221041439242-0.659504.1644
RIBOSE (M+K)+RiboseME2210425779-0.635150.0543
RIBOSE (M+Na)+RiboseME2210435779-0.655150.05
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+S-AdenosylhomocysteineME221044439155-1.35384.1291
SALICYLURIC ACID (M+H)+Salicyluric acidME22104610253-6.249195.0559
SEBACIC ACID (M+Na)+Sebacic acidME2210475192-13.029202.1227
SELENOMETHIONINE (M+H)+SelenomethionineME221048105024-1.303196.9972
S-HEXYL-GLUTATHIONE (M+Na)+S-Hexyl-glutathioneME22104597536-11.863391.1821
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME221049439285-0.66257.1021
SPERMIDINE (M+H)+SpermidineME2210501102-0.516145.1576
SPERMINE (M+H)+SpermineME2210511103-0.512202.2159
SPHINGANINE (M+H)+SphinganineME221052644260-20.772301.2927
SPHINGOSINE (M+H)+[-H2O]SphingosineME2210535280335-20.21299.2814
STACHYOSE (M+Na)+StachyoseME221054439531-0.65666.2197
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME22105552922056-21.845427.3664
SUBERIC ACID (M+H)+Suberic acidME22105610457-8.296174.0894
SUBERIC ACID (M+H)+[-H2O]Suberic acidME22105710457-8.308174.0886
SUBERIC ACID (M+Na)+Suberic acidME22105810457-8.308174.0905
SUCROSE (M+Na)+SucroseME2210595988-0.655342.1123
TAUROCHENODEOXYCHOLIC ACID (M+H)+Taurochenodeoxycholic acidME221060387316-20.251499.2954
TAUROCHENODEOXYCHOLIC ACID (M+Na)+Taurochenodeoxycholic acidME221061387316-20.242499.2969
TAUROLITHOCHOLIC ACID (M+H)+Taurolithocholic acidME221062439763-21.687483.311
TESTOSTERONE (M+Na)+TestosteroneME2210636013-17.479288.204
TETRADECENOYLCARNITINE (*) M+CAR 14:1ME22106422833575-18.883370.2958
THEOBROMINE (M+H)+TheobromineME2210655429-3.462180.0651
THEOBROMINE (M+Na)+TheobromineME2210665429-3.463180.0635
THEOPHYLLINE (M+H)+TheophyllineME2210672153-4.417180.0654
THEOPHYLLINE (M+Na)+TheophyllineME2210682153-4.413180.0652
THREONINE (M+H)+[-H2O]ThreonineME2210696288-0.936119.0576
THYROXINE (M+H)+ThyroxineME2210705819-16.26776.6855
TRYPTOPHAN (M+H)+TryptophanME2210716305-3.688204.0902
TRYPTOPHAN (M+Na)+TryptophanME2210726305-3.682204.09
TYROSINE (M+H)+TyrosineME2210736057-1.336181.0741
TYROSINE (M+Na)+TyrosineME2210746057-1.336181.0741
URIC ACID (M+H)+Uric acidME2210751175-0.972168.0286
URIC ACID (M+Na)+Uric acidME2210761175-0.975168.0295
URIDINE-5-MONOPHOSPHATE (M+H)+UMPME2210796030-0.901324.0312
URIDINE (M+H)+UridineME2210776029-1.328244.0673
URIDINE (M+Na)+UridineME2210786029-1.326244.0696
UROCANIC ACID (M+H)+Urocanic acidME221080736715-0.916138.0418
URSODIOL (M+Na)+Ursodeoxycholic acidME22108131401-21.724392.2948
VALINE (M+H)+ValineME2210826287-0.883117.0791
VALINE (M+Na)+ValineME2210836287-0.88117.078
XANTHINE (M+H)+XanthineME2210841188-1.242152.0331
XANTHOSINE (M+H)+XanthosineME22108564959-2.277284.0774
ZEATIN [ISTD] (M+H)+trans-ZeatinME221086449093-3.774219.1126


Analysis: TripleTOF 5600+/C18 NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CerP 32:1; [M-H]-@5.19CerP 32:1;O2ME221087--5.19588.4393
CerP 33:1; [M-H]-@5.54CerP 33:1;O2ME221088--5.54602.4549
CerP 34:0; [M-H]-@6.16CerP 18:0;O2/16:0ME2210895283582-6.16618.4863
CerP 34:1; [M-H]-@5.92CerP 34:1;O2ME221090--5.92616.4706
CerP 34:2; [M-H]-@5.36CerP 34:2;O2ME221091--5.36614.4549
CerP 35:1; [M-H]-@6.22CerP 35:1;O2ME221092--6.22630.4863
FFA(16:0)Palmitic acidME221093--2.3255.2329
FFA(18:0)Stearic acidME2210945281-3.27283.2642
FFA(18:1)Octadecenoic acidME221095--2.5281.2486
FFA(18:2)Octadecadienoic acidME221096--1.92279.2329
FFA(20:0)Arachidic acidME22109710467-4.3311.2955
FFA(20:1)Heneicosenoic acidME221098--3.45309.2799
FFA(20:2)Eicosadienoic acidME221099--2.82307.2642
FFA(20:4) Arachidonic acidArachidonic acidME221100--1.85303.2329
FFA(22:0)Behenic acidME2211018215-5.29339.3268
FFA(22:1)Docosenoic acidME221102--4.43337.3112
FFA(22:2)Docosadienoic acidME221103--3.76335.2955
FFA(22:3)Docosatrienoic acidME221104--3.18333.2799
FFA(24:0)Lignoceric acidME22110511197-6.21367.3581
FFA(24:1)Tetracosenoic acidME221106--5.36365.3425
FFA(24:2)Tetracosadienoic acidME221107--4.7363.3268
FFA(24:3)Tetracosatrienoic acidME22110852921854-4.07361.3112
IS PC 34:0;[M-Ac-H]-PC 34:0ME221109--7.3820.6073
lysoPE 16:0; [M-H]-@1.66LPE 16:0ME221225--1.66452.2777
lysoPE 16:1; [M-H]-@1.30LPE 16:1ME221226--1.3450.2621
lysoPE 18:0; [M-H]-@2.48LPE 18:0ME221227--2.48480.309
lysoPE 18:1; [M-H]-@1.81LPE 18:1ME221228--1.81478.2934
lysoPE 18:2; [M-H]-@1.42LPE 18:2ME221229--1.42476.2777
lysoPE 20:3; [M-H]-@1.63LPE 20:3ME221230--1.63502.2934
lysoPE 20:4; [M-H]-@1.39LPE 20:4ME221231--1.39500.2777
lysoPE 20:5; [M-H]-@1.10LPE 20:5ME221232--1.1498.2621
lysoPE 22:4; [M-H]-@1.93LPE 22:4ME221233--1.93528.309
lysoPE 22:5; [M-H]-@1.53LPE 22:5ME221234--1.53526.2934
lysoPE 22:6; [M-H]-@1.33LPE 22:6ME221235--1.33524.2777
lysoPE 24:0; [M-H]-@5.33LPE 24:0ME221236--5.33564.403
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.50Cer 18:1;O2/24:1ME2211105283568-8.5646.6137
N-(dodecanoyl)-sphing-4-enine; [M-H]-@5.56Cer 18:1;O2/12:0ME2211115283562-5.56480.4415
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.90Cer 18:1;O2/16:0ME2211125283564-6.9536.5041
N-(hexadecanoyl)-sphinganine; [M-H]-@7.11Cer 18:0;O2/16:0ME2211135283572-7.11538.5198
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.95Cer 18:1;O2/24:0ME2211145283571-8.95648.6293
PA 34:1; [M-H]-@6.72PA 34:1ME221115--6.72673.4808
PA 34:2; [M-H]-@6.24PA 34:2ME221116--6.24671.4652
PA 34:3; [M-H]-@5.64PA 34:3ME221117--5.64669.4495
PA 36:4; [M-H]-@6.05PA 36:4ME221118--6.05695.4652
PA 38:5; [M-H]-@5.96PA 38:5ME221119--5.96721.4808
PA 38:6; [M-H]-@6.12PA 38:6ME221120--6.12719.4652
PC 32:0; [M-Ac-H]-@6.67PC 32:0ME221121--6.67792.5754
PC 32:2; [M-Ac-H]-@5.62PC 32:2ME221122--5.62788.5442
PC 33:1; [M-Ac-H]-@6.47PC 33:1ME221123--6.47804.5754
PC 33:2; [M-Ac-H]-@6.00PC 33:2ME221124--6802.5598
PC 34:1; [M-Ac-H]-@6.75PC 34:1ME221125--6.75818.5911
PC 34:2; [M-Ac-H]-@6.31PC 34:2ME221126--6.31816.5754
PC 34:3; [M-Ac-H]-@5.82PC 34:3ME221127--5.82814.5598
PC 34:4; [M-Ac-H]-@5.64PC 34:4ME221128--5.64812.5442
PC 35:2; [M-Ac-H]-@6.60PC 35:2ME221129--6.6830.5911
PC 35:3; [M-Ac-H]-@6.14PC 35:3ME221130--6.14828.5754
PC 35:4; [M-Ac-H]-@5.97PC 35:4ME221131--5.97826.5598
PC 36:0; [M-Ac-H]-@7.80PC 36:0ME221132--7.8848.6381
PC 36:1; [M-Ac-H]-@7.34PC 36:1ME221133--7.34846.6224
PC 36:2; [M-Ac-H]-@6.92PC 36:2ME221134--6.92844.6068
PC 36:3; [M-Ac-H]-@6.47PC 36:3ME221135--6.47842.5911
PC 36:4; [M-Ac-H]-@6.23PC 36:4ME221136--6.23840.5754
PC 36:5; [M-Ac-H]-@5.72PC 36:5ME221137--5.72838.5598
PC 36:6; [M-Ac-H]-@5.49PC 36:6ME221138--5.49836.5442
PC 37:3; [M-Ac-H]-@6.74PC 37:3ME221139--6.74856.6068
PC 37:4; [M-Ac-H]-@6.53PC 37:4ME221140--6.53854.5911
PC 38:2; [M-Ac-H]-@7.45PC 38:2ME221141--7.45872.6381
PC 38:3; [M-Ac-H]-@7.13PC 38:3ME221142--7.13870.6224
PC 38:4; [M-Ac-H]-@6.83PC 38:4ME221143--6.83868.6068
PC 38:5; [M-Ac-H]-@6.45PC 38:5ME221144--6.45866.5911
PC 38:6; [M-Ac-H]-@6.06PC 38:6ME221145--6.06864.5754
PC 38:7; [M-Ac-H]-@5.54PC 38:7ME221146--5.54862.5598
PC 40:4; [M-Ac-H]-@7.34PC 40:4ME221147--7.34896.6381
PC 40:5; [M-Ac-H]-@7.03PC 40:5ME221148--7.03894.6224
PC 40:6; [M-Ac-H]-@6.72PC 40:6ME221149--6.72892.6068
PC 40:7; [M-Ac-H]-@6.31PC 40:7ME221150--6.31890.5911
PC 40:8; [M-Ac-H]-@5.84PC 40:8ME221151--5.84888.5754
PE 30:0; [M-H]-@6.15PE 30:0ME221152--6.15662.4761
PE 32:0; [M-H]-@5.45PE 32:0ME221153--5.45690.5074
PE 32:1; [M-H]-@5.44PE 32:1ME221155--6.3688.4917
PE 32:1; [M-H]-@6.30PE 32:1ME221154--6.3688.4917
PE 32:2; [M-H]-@5.79PE 32:2ME221156--5.79686.4761
PE 33:0; [M-H]-@7.10PE 33:0ME221157--7.1704.5231
PE 33:1; [M-H]-@6.60PE 33:1ME221158--6.6702.5074
PE 33:2; [M-H]-@6.14PE 33:2ME221159--6.14700.4917
PE 34:0; [M-H]-@5.98PE 34:0ME221160--5.98718.5387
PE 34:1; [M-H]-@6.12PE 34:1ME221162--6.91716.5231
PE 34:1; [M-H]-@6.91PE 34:1ME221161--6.91716.5231
PE 34:2; [M-H]-@5.16PE 34:2ME221164--6.46714.5074
PE 34:2; [M-H]-@6.46PE 34:2ME221163--6.46714.5074
PE 34:3; [M-H]-@5.98PE 34:3ME221165--5.98712.4917
PE 35:0; [M-H]-@6.33PE 35:0ME221167--7.61732.5543
PE 35:0; [M-H]-@7.61PE 35:0ME221166--7.61732.5543
PE 35:1; [M-H]-@5.89PE 35:1ME221168--5.89730.5387
PE 35:2; [M-H]-@6.72PE 35:2ME221169--6.72728.5231
PE 35:4; [M-H]-@6.13PE 35:4ME221170--6.13724.4917
PE 36:0; [M-H]-@7.88PE 36:0ME221171--7.88746.57
PE 36:1; [M-H]-@6.19PE 36:1ME221172--7.47744.5543
PE 36:1; [M-H]-@7.47PE 36:1ME221173--7.47744.5543
PE 36:2; [M-H]-@5.70PE 36:2ME221175--7.02742.5387
PE 36:2; [M-H]-@7.02PE 36:2ME221174--7.02742.5387
PE 36:3; [M-H]-@5.26PE 36:3ME221177--6.6740.5231
PE 36:3; [M-H]-@6.60PE 36:3ME221176--6.6740.5231
PE 36:4; [M-H]-@6.24PE 36:4ME221178--6.24738.5074
PE 36:5; [M-H]-@5.93PE 36:5ME221179--5.93736.4917
PE 37:4; [M-H]-@6.77PE 37:4ME221180--6.77752.5231
PE 38:0; [M-H]-@7.78PE 38:0ME221181--7.78774.6013
PE 38:2; [M-H]-@7.63PE 38:2ME221182--7.63770.57
PE 38:3; [M-H]-@7.26PE 38:3ME221183--7.26768.5543
PE 38:4; [M-H]-@7.06PE 38:4ME221184--7.06766.5387
PE 38:5; [M-H]-@6.58PE 38:5ME221185--6.58764.5231
PE 38:6; [M-H]-@6.21PE 38:6ME221186--6.21762.5074
PE 40:2; [M-H]-@7.47PE 40:2ME221187--7.47798.6013
PE 40:4; [M-H]-@7.45PE 40:4ME221188--7.45794.57
PE 40:5; [M-H]-@7.12PE 40:5ME221189--7.12792.5543
PE 40:6; [M-H]-@6.96PE 40:6ME221190--6.96790.5387
PE 40:7; [M-H]-@6.43PE 40:7ME221191--6.43788.5231
PE 40:8; [M-H]-@5.97PE 40:8ME221192--5.97786.5074
PE 42:10; [M-H]-@5.90PE 42:10ME221193--5.9810.5074
PG 32:0; [M-H]-@5.91PG 32:0ME221194--5.91721.5019
PG 33:0; [M-H]-@6.21PG 33:0ME221195--6.21735.5176
PG 34:1; [M-H]-@5.90PG 34:1ME221196--5.9747.5176
PG 34:2; [M-H]-@5.46PG 34:2ME221197--5.46745.5019
PG 35:2; [M-H]-@5.63PG 35:2ME221198--5.63759.5176
PG 36:0; [M-H]-@7.03PG 36:0ME221199--7.03777.5646
PG 36:2; [M-H]-@5.99PG 36:2ME221200--5.99773.5333
PG 36:3; [M-H]-@5.51PG 36:3ME221201--5.51771.5176
PG 38:4; [M-H]-@5.67PG 38:4ME221202--5.67797.5333
PG 38:5; [M-H]-@5.39PG 38:5ME221203--5.39795.5176
PG 40:5; [M-H]-@5.93PG 40:5ME221204--5.93823.5489
PG 40:7; [M-H]-@5.31PG 40:7ME221205--5.31819.5176
PI 34:2; [M-H]-@5.37PI 34:2ME221206--5.37833.518
PI 36:1; [M-H]-@6.44PI 36:1ME221207--6.44863.5649
PI 36:2; [M-H]-@6.03PI 36:2ME221208--6.03861.5493
PI 36:4; [M-H]-@5.39PI 36:4ME221209--5.39857.518
PI 38:4; [M-H]-@6.03PI 38:4ME221210--6.03885.5493
PI 38:5; [M-H]-@5.50PI 38:5ME221211--5.5883.5337
plasmenyl-PE 18:0; [M-H]-@2.10PE P-18:0ME221267--2.1478.2934
plasmenyl-PE 32:0; [M-H]-@7.13PE P-32:0ME221237--7.13674.5124
plasmenyl-PE 32:1; [M-H]-@6.66PE P-32:1ME221238--6.66672.4968
plasmenyl-PE 33:1; [M-H]-@6.95PE P-33:1ME221239--6.95686.5124
plasmenyl-PE 34:0; [M-H]-@6.96PE P-34:0ME221240--7.7702.5438
plasmenyl-PE 34:0; [M-H]-@7.70PE P-34:0ME221241--7.7702.5438
plasmenyl-PE 34:1; [M-H]-@7.20PE P-34:1ME221242--7.2700.5281
plasmenyl-PE 34:2; [M-H]-@6.77PE P-34:2ME221243--6.77698.5124
plasmenyl-PE 34:3; [M-H]-@6.41PE P-34:3ME221244--6.41696.4968
plasmenyl-PE 36:0; [M-H]-@7.13PE P-36:0ME221245--7.13730.5751
plasmenyl-PE 36:1; [M-H]-@7.05PE P-36:1ME221247--7.77728.5594
plasmenyl-PE 36:1; [M-H]-@7.77PE P-36:1ME221246--7.77728.5594
plasmenyl-PE 36:2; [M-H]-@6.63PE P-36:2ME221249--7.33726.5438
plasmenyl-PE 36:2; [M-H]-@7.33PE P-36:2ME221248--7.33726.5438
plasmenyl-PE 36:3; [M-H]-@6.97PE P-36:3ME221250--6.97724.5281
plasmenyl-PE 36:4; [M-H]-@6.73PE P-36:4ME221251--6.73722.5124
plasmenyl-PE 36:5; [M-H]-@6.34PE P-36:5ME221252--6.34720.4968
plasmenyl-PE 38:1; [M-H]-@8.27PE P-38:1ME221253--8.27756.5907
plasmenyl-PE 38:2; [M-H]-@6.98PE P-38:2ME221254--7.9754.5751
plasmenyl-PE 38:2; [M-H]-@7.90PE P-38:2ME221255--7.9754.5751
plasmenyl-PE 38:3; [M-H]-@7.53PE P-38:3ME221256--7.53752.5594
plasmenyl-PE 38:4; [M-H]-@7.30PE P-38:4ME221257--7.3750.5438
plasmenyl-PE 38:5; [M-H]-@6.77PE P-38:5ME221258--6.77748.5281
plasmenyl-PE 38:6; [M-H]-@6.61PE P-38:6ME221259--6.61746.5124
plasmenyl-PE 40:4; [M-H]-@6.77PE P-40:4ME221260--7.81778.5751
plasmenyl-PE 40:4; [M-H]-@7.81PE P-40:4ME221261--7.81778.5751
plasmenyl-PE 40:5; [M-H]-@7.40PE P-40:5ME221262--7.4776.5594
plasmenyl-PE 40:6; [M-H]-@7.24PE P-40:6ME221263--7.24774.5438
plasmenyl-PE 42:4; [M-H]-@8.24PE P-42:4ME221264--8.24806.6064
plasmenyl-PE 42:5; [M-H]-@7.91PE P-42:5ME221265--7.91804.5907
plasmenyl-PE 42:6; [M-H]-@7.79PE P-42:6ME221266--7.79802.5751
PS 34:0; [M-H]-@6.49PS 34:0ME221212--7.56762.5285
PS 34:0; [M-H]-@7.39PS 34:0ME221213--7.56762.5285
PS 34:0; [M-H]-@7.56PS 34:0ME221214--7.56762.5285
PS 36:0; [M-H]-@7.09PS 36:0ME221215--7.09790.5598
PS 36:1; [M-H]-@6.61PS 36:1ME221216--7.42788.5442
PS 36:1; [M-H]-@7.42PS 36:1ME221217--7.42788.5442
PS 36:2; [M-H]-@6.25PS 36:2ME221218--6.25786.5285
PS 38:1; [M-H]-@7.13PS 38:1ME221219--7.13816.5755
PS 38:3; [M-H]-@6.38PS 38:3ME221220--6.38812.5442
PS 38:4; [M-H]-@6.13PS 38:4ME221221--6.13810.5285
PS 39:1; [M-H]-@7.40PS 39:1ME221222--7.4830.5911
PS 40:2; [M-H]-@7.41PS 40:2ME221223--7.41842.5911
PS 40:6; [M-H]-@6.06PS 40:6ME221224--6.06834.5285


Analysis: TripleTOF 5600+/C18 POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CE(16:0); [M+NH4]+@11.01CE 16:0ME221268246520-11.01642.6189
CE(16:1); [M+NH4]+@10.73CE 16:1ME221269--10.73640.6032
CE(18:1); [M+NH4]+@10.98CE 18:1ME2212705283632-10.98668.6345
CE(18:2); [M+NH4]+@10.76CE 18:2ME2212715287939-10.76666.6189
CE(18:3); [M+NH4]+@10.58CE 18:3ME2212726436907-10.58664.6032
CE(20:3); [M+NH4]+@10.82CE 20:3ME22127314274976-10.82692.6345
CE(20:4); [M+NH4]+@10.64CE 20:4ME2212746479222-10.64690.6189
CE(20:5); [M+NH4]+@10.47CE 20:5ME22127510372299-10.47688.6032
CE(22:6); [M+NH4]+@10.58CE 22:6ME22127614274978-10.58714.6189
DG 30:0; [M+NH4]+@7.44DG 30:0ME221277--7.44558.5094
DG 32:0; [M+NH4]+@7.99DG 32:0ME221278--7.99586.5407
DG 32:1; [M+NH4]+@7.54DG 32:1ME221279--7.54584.5251
DG 32:2; [M+NH4]+@7.10DG 32:2ME221280--7.1582.5094
DG 34:1; [M+NH4]+@8.06DG 34:1ME221281--8.06612.5564
DG 34:2; [M+NH4]+@7.66DG 34:2ME221282--7.66610.5407
DG 34:3; [M+NH4]+@7.23DG 34:3ME221283--7.23608.5251
DG 36:0; [M+NH4]+@8.94DG 36:0ME221284--8.94642.6033
DG 36:1; [M+NH4]+@8.55DG 36:1ME221285--8.55640.5877
DG 36:2; [M+NH4]+@8.15DG 36:2ME221286--8.15638.572
DG 36:3; [M+NH4]+@7.74DG 36:3ME221287--7.74636.5564
DG 36:4; [M+NH4]+@7.67DG 36:4ME221288--7.67634.5407
DG 36:5; [M+NH4]+@7.04DG 36:5ME221289--7.04632.5251
DG 38:3; [M+NH4]+@8.34DG 38:3ME221290--8.34664.5877
DG 38:4; [M+NH4]+@8.14DG 38:4ME221291--8.14662.572
DG 38:5; [M+NH4]+@7.66DG 38:5ME221292--7.66660.5564
DG 38:6; [M+NH4]+@7.33DG 38:6ME221293--7.33658.5407
DG 40:5; [M+NH4]+@8.12DG 40:5ME221294--8.12688.5877
DG 40:7; [M+NH4]+@7.63DG 40:7ME221295--7.63684.5564
IS CE 17:0; [M+NH4]+CE 17:0ME22129624779605-11.1656.634
IS Ceramide;[M-H20]+-ME221297--7.16534.524
IS D31-TAG-ME221298--10.47918.3543
IS d5-DAG-ME221306--9.29675.6663
IS DG 34:1; [M+NH4]+DG 34:1ME221299--8.02612.5561
IS lysoPC 17:0;[M+H]+LPC 17:0ME22130724779463-2.02510.356
IS MG 17:0; [M+NH4]+MG 17:0ME221300107036-3.16362.3265
IS PC 34:0; [M+H]+PC 34:0ME221301--7.2762.6007
IS PE 34:0; [M+H]+PE 34:0ME221302--7.3720.5538
IS PS 34:0;[M+H]+PS 34:0ME221303--6.36764.5436
IS SM 35:1;[M+H]+-ME221304--5.8717.5905
IS TG 51:0; [M+NH4]+TG 51:0ME221305--10.9866.8171
lysoPC 14:0; [M+Na]+@1.14LPC 14:0ME221506--1.14490.291
lysoPC 15:0; [M+Na]+@1.29LPC 15:0ME22150724779458-1.29504.3066
lysoPC 16:0; [M+H]+@1.63LPC 16:0ME221508--1.63496.3403
lysoPC 16:0; [M+Na]+@1.70LPC 16:0ME221509--1.7504.343
lysoPC 18:0; [M+H]+@2.39LPC 18:0ME221510--2.39524.3716
lysoPC 18:0; [M+Na]+@2.95LPC 18:0ME221511--2.95532.3743
lysoPC 18:1; [M+H]+@1.77LPC 18:1ME221512--1.77522.356
lysoPC 18:1; [M+Na]+@1.90LPC 18:1ME221513--1.9544.3379
lysoPC 18:2; [M+H]+@1.39LPC 18:2ME221514--1.39520.3403
lysoPC 18:2; [M+Na]+@1.17LPC 18:2ME221515--1.17542.3223
lysoPC 18:3; [M+Na]+@1.14LPC 18:3ME221516--1.14540.3066
lysoPC 19:0; [M+H]+@2.93LPC 19:0ME22151724779472-2.93538.3873
lysoPC 19:0; [M+Na]+@2.93LPC 19:0ME22151824779472-2.93560.3692
lysoPC 20:0; [M+Na]+@3.40LPC 20:0ME22151924779473-3.4574.3848
lysoPC 22:4; [M+Na]+@1.87LPC 22:4ME22152052924039-1.87594.3535
lysoPC 22:5; [M+Na]+@1.52LPC 22:5ME221521--1.52592.3379
lysoPC 23:0; [M+H]+@4.77LPC 23:0ME221522--4.77594.4498
lysoPC 24:0; [M+H]+@5.19LPC 24:0ME22152324779481-5.19608.4655
lysoPC 24:1; [M+H]+@4.33LPC 24:1ME22152453480477-4.33606.4498
lysoPE 16:0; [M+H]+@1.72LPE 16:0ME221525--1.72454.2934
lysoPE 17:0; [M+H]+@7.34LPE 17:0ME22152652925149-7.34468.309
lysoPE 18:0; [M+H]+@2.57LPE 18:0ME221527--2.57482.3246
lysoPE 18:0; [M+Na]+@2.79LPE 18:0ME221528--2.79488.3117
lysoPE 18:1; [M+H]+@1.85LPE 18:1ME221529--1.85480.309
lysoPE 18:2; [M+H]+@1.49LPE 18:2ME221530--1.49478.2934
lysoPE 20:3; [M+H]+@1.68LPE 20:3ME221531--1.68504.309
lysoPE 20:4; [M+H]+@1.32LPE 20:4ME221532--1.32502.2934
lysoPE 22:6; [M+H]+@1.25LPE 22:6ME221533--1.25526.2933
lysoPE 24:0; [M+H]+@5.30LPE 24:0ME221534--5.3566.4186
MG 17:0; [M+Li]+@3.21MG 17:0ME221308107036-3.21351.3087
PC 28:0; [M+Na]+@5.28PC 28:0ME221309--5.28700.4893
PC 30:0; [M+Na]+@6.02PC 30:0ME221310--6.02728.5206
PC 30:1; [M+Na]+@5.49PC 30:1ME221311--5.49726.505
PC 30:3; [M+H]+@5.32PC 30:3ME221312--5.32700.4917
PC 32:0; [M+Na]+@6.67PC 32:0ME221313--6.67756.5519
PC 32:1; [M+Na]+@6.13PC 32:1ME221314--6.13754.5363
PC 32:2; [M+Na]+@5.66PC 32:2ME221315--5.66752.5206
PC 33:2; [M+Na]+@6.05PC 33:2ME221316--6.05766.5363
PC 34:1; [M+Na]+@6.77PC 34:1ME221317--6.77782.5676
PC 34:2; [M+Na]+@6.36PC 34:2ME221318--6.36780.5519
PC 34:3; [M+Na]+@5.79PC 34:3ME221319--5.79778.5363
PC 34:4; [M+Na]+@5.54PC 34:4ME221320--5.54776.5206
PC 35:3; [M+Na]+@6.13PC 35:3ME221321--6.13792.5519
PC 36:0; [M+Na]+@7.79PC 36:0ME221322--7.79812.6145
PC 36:1; [M+Na]+@7.37PC 36:1ME221323--7.37810.5989
PC 36:2; [M+Na]+@6.98PC 36:2ME221324--6.98808.5832
PC 36:3; [M+H]+@7.25PC 36:3ME221325--7.25784.5856
PC 36:3; [M+Na]+@6.49PC 36:3ME221326--6.49806.5676
PC 36:4; [M+H]+@4.43PC 36:4ME221327--8.59782.57
PC 36:4; [M+H]+@8.59PC 36:4ME221328--8.59782.57
PC 36:4; [M+Na]+@6.11PC 36:4ME221329--6.11804.5519
PC 36:5; [M+H]+@4.42PC 36:5ME221330--4.42780.5543
PC 36:5; [M+Na]+@5.55PC 36:5ME221331--5.55802.5363
PC 36:6; [M+Na]+@5.51PC 36:6ME221332--5.51800.5206
PC 36:7; [M+H]+@5.38PC 36:7ME221333--5.38776.523
PC 38:4; [M+Na]+@6.88PC 38:4ME221334--6.88832.5832
PC 38:5; [M+H]+@5.15PC 38:5ME221335--5.15808.5856
PC 38:6; [M+H]+@5.15PC 38:6ME221336--5.15806.57
PC 38:6; [M+Na]+@6.17PC 38:6ME221337--6.17828.5519
PC 38:7; [M+Na]+@5.60PC 38:7ME221338--5.6826.5363
PC 40:10; [M+H]+@5.56PC 40:10ME221339--5.56826.5387
PC 40:5; [M+Na]+@7.20PC 40:5ME221340--7.2858.5989
PC 40:6; [M+Na]+@6.82PC 40:6ME221341--6.82856.5832
PC 40:7; [M+H]+@5.30PC 40:7ME221342--5.3832.5856
PC 40:8; [M+Na]+@5.81PC 40:8ME221343--5.81852.5519
PC 40:9; [M+H]+@5.95PC 40:9ME221344--5.95828.5543
PC 42:10; [M+Na]+@5.76PC 42:10ME221345--5.76876.5519
PC 42:5; [M+H]+@8.11PC 42:5ME221346--8.11864.6482
PC 42:9; [M+H]+@6.83PC 42:9ME221347--6.83856.5856
PC 44:4; [M+H]+@8.54PC 44:4ME221348--8.54894.6952
PE 32:0; [M+H]+@6.80PE 32:0ME221349--6.8692.523
PE 33:0; [M+H]+@7.12PE 33:0ME221350--7.12706.5387
PE 34:1; [M+H]+@6.89PE 34:1ME221351--6.89718.5387
PE 34:2; [M+H]+@6.43PE 34:2ME221352--6.43716.523
PE 35:1; [M+H]+@7.11PE 35:1ME221353--7.11732.5543
PE 36:0; [M+H]+@7.90PE 36:0ME221354--7.9748.5856
PE 36:1; [M+H]+@7.47PE 36:1ME221355--7.47746.57
PE 36:2; [M+H]+@7.02PE 36:2ME221356--7.02744.5543
PE 36:4; [M+H]+@6.47PE 36:4ME221357--6.47740.523
PE 36:5; [M+H]+@6.05PE 36:5ME221358--6.05738.5074
PE 38:4; [M+H]+@7.06PE 38:4ME221359--7.06768.5543
PE 40:5; [M+H]+@7.11PE 40:5ME221360--7.11794.57
PE 40:6; [M+H]+@6.95PE 40:6ME221361--6.95792.5543
plasmenyl-PC 18:0; [M+Na]+@1.84PC P-18:0ME221535--1.84544.3379
plasmenyl-PC 20:0; [M+Na]+@2.60PC P-20:0ME221536--2.6572.3692
plasmenyl-PC 32:0; [M+Na]+@6.98PC P-32:0ME221537--6.98740.557
plasmenyl-PC 34:1; [M+Na]+@7.09PC P-34:1ME221538--7.09766.5727
plasmenyl-PC 36:3; [M+Na]+@6.68PC P-36:3ME221539--6.68790.5727
plasmenyl-PC 36:4; [M+Na]+@6.61PC P-36:4ME221540--6.61788.557
plasmenyl-PC 38:4; [M+Na]+@6.78PC P-38:4ME221541--6.78816.5883
plasmenyl-PC 44:4; [M+Na]+@8.37PC P-44:4ME221542--8.37900.6822
plasmenyl-PE 34:1; [M+H]+@7.19PE P-34:1ME221543--7.19702.5438
plasmenyl-PE 34:2; [M+H]+@6.78PE P-34:2ME221544--6.78700.5281
plasmenyl-PE 36:1; [M+H]+@7.75PE P-36:1ME221545--7.75730.5751
plasmenyl-PE 36:2; [M+H]+@7.38PE P-36:2ME221546--7.38728.5594
plasmenyl-PE 36:3; [M+H]+@7.03PE P-36:3ME221547--7.03726.5438
plasmenyl-PE 36:4; [M+H]+@6.74PE P-36:4ME221548--6.74724.5281
plasmenyl-PE 38:1; [M+H]+@8.26PE P-38:1ME221549--8.26758.6063
plasmenyl-PE 38:2; [M+H]+@7.94PE P-38:2ME221550--7.94756.5907
plasmenyl-PE 38:3; [M+H]+@7.60PE P-38:3ME221551--7.6754.5751
plasmenyl-PE 38:4; [M+H]+@7.32PE P-38:4ME221552--7.32752.5594
plasmenyl-PE 38:5; [M+H]+@7.03PE P-38:5ME221553--7.03750.5438
plasmenyl-PE 38:6; [M+H]+@6.65PE P-38:6ME221554--6.65748.5281
plasmenyl-PE 40:4; [M+H]+@7.72PE P-40:4ME221555--7.72780.5907
plasmenyl-PE 40:5; [M+H]+@7.35PE P-40:5ME221556--7.35778.5751
plasmenyl-PE 40:6; [M+H]+@7.24PE P-40:6ME221557--7.24776.5594
plasmenyl-PE 42:6; [M+H]+@7.79PE P-42:6ME221558--7.79804.5907
PS 36:1; [M+Na]+@6.73PS 36:1ME221362--6.73812.5418
SM 30:1; [M]+@4.44SM 30:1;O2ME221364--4.44647.5128
SM 30:1; [M+Na]+@4.42SM 30:1;O2ME221363--4.42669.4948
SM 32:0; [M]+@5.50SM 32:0;O2ME22136644260138-5.5677.5597
SM 32:0; [M+Na]+@5.44SM 32:0;O2ME22136544260138-5.44699.5417
SM 32:1; [M+Na]+@5.17SM 32:1;O2ME22136711433862-5.17697.5261
SM 32:2; [M]+@4.60SM 32:2;O2ME221369--4.6673.5284
SM 32:2; [M+Na]+@4.51SM 32:2;O2ME221368--4.51695.5104
SM 33:1; [M]+@5.70SM 33:1;O2ME22137152931139-5.7689.5597
SM 33:1; [M+Na]+@5.53SM 33:1;O2ME22137052931139-5.53711.5417
SM 34:0; [M]+@6.13SM 34:0;O2ME2213739939965-6.13705.5911
SM 34:0; [M+Na]+@6.17SM 34:0;O2ME2213729939965-6.17727.573
SM 34:1; [M]+@5.84SM 34:1;O2ME221375--5.84703.5754
SM 34:1; [M+Na]+@5.87SM 34:1;O2ME221374--5.87725.5573
SM 34:2; [M+Na]+@5.34SM 34:2;O2ME221376--5.34723.5417
SM 35:2; [M+Na]+@5.73SM 35:2;O2ME221377--5.73737.5573
SM 36:0; [M]+@6.85SM 36:0;O2ME22137852931167-6.85733.6224
SM 36:1; [M+Na]+@6.61SM 36:1;O2ME22137944260139-6.61753.5886
SM 36:2; [M+Na]+@6.10SM 36:2;O2ME221380--6.1751.573
SM 37:1; [M]+@6.90SM 37:1;O2ME221381--6.9745.6224
SM 38:1; [M+Na]+@7.22SM 38:1;O2ME221382--7.22781.6199
SM 38:2; [M]+@6.77SM 38:2;O2ME221384--6.77757.6224
SM 38:2; [M+Na]+@6.76SM 38:2;O2ME221383--6.76779.6043
SM 38:4; [M]+@5.74SM 38:4;O2ME221385--5.74753.5911
SM 39:1; [M+Na]+@7.54SM 39:1;O2ME221386--7.54795.6356
SM 39:2; [M]+@7.07SM 39:2;O2ME221387--7.07771.638
SM 40:0; [M+Na]+@7.96SM 40:0;O2ME22138844260132-7.96811.6669
SM 40:1; [M+Na]+@7.76SM 40:1;O2ME221389--7.76809.6513
SM 40:2; [M]+@7.24SM 40:2;O2ME221391--7.24785.6536
SM 40:2; [M+Na]+@7.31SM 40:2;O2ME221390--7.31807.6356
SM 40:4; [M]+@6.36SM 40:4;O2ME221392--6.36781.6224
SM 41:1; [M]+@8.06SM 41:1;O2ME221394--8.06801.6849
SM 41:1; [M+Na]+@8.02SM 41:1;O2ME221393--8.02823.6669
SM 41:2; [M+Na]+@7.60SM 41:2;O2ME221395--7.6821.6513
SM 42:0; [M]+@8.48SM 42:0;O2ME22139744260134-8.48817.7163
SM 42:0; [M+Na]+@8.48SM 42:0;O2ME22139644260134-8.48839.6982
SM 42:1; [M+Na]+@8.27SM 42:1;O2ME22139844260133-8.27837.6826
SM 42:2; [M]+@7.69SM 42:2;O2ME221400--7.69813.6849
SM 42:2; [M+Na]+@7.78SM 42:2;O2ME221399--7.78835.6669
SM 42:4; [M]+@7.05SM 42:4;O2ME221402--7.05809.6536
SM 42:4; [M+Na]+@6.95SM 42:4;O2ME221401--6.95831.6356
SM 42:5; [M]+@6.54SM 42:5;O2ME221403--6.54807.638
SM 43:0; [M]+@8.68SM 43:0;O2ME221404--8.68831.7319
SM 43:1; [M]+@8.49SM 43:1;O2ME221406--8.49829.7163
SM 43:1; [M+Na]+@8.45SM 43:1;O2ME221405--8.45851.6982
SM 43:2; [M]+@8.12SM 43:2;O2ME221408--8.12827.7006
SM 43:2; [M+Na]+@8.01SM 43:2;O2ME221407--8.01849.6826
SM 44:1; [M]+@8.56SM 44:1;O2ME221410--8.56843.7319
SM 44:1; [M+Na]+@8.73SM 44:1;O2ME221409--8.73865.7138
SM 44:2; [M]+@8.27SM 44:2;O2ME221412--8.27841.7163
SM 44:2; [M+Na]+@8.27SM 44:2;O2ME221411--8.27863.6982
SM 45:1; [M]+@8.98SM 45:1;O2ME221413--8.98857.7476
TG 40:0; [M+Na]+@9.54TG 40:0ME221415--9.54717.6005
TG 40:0; [M+NH4]+@9.51TG 40:0ME221414--9.51712.6451
TG 40:1; [M+NH4]+@9.21TG 40:1ME221416--9.21710.6295
TG 42:0; [M+Na]+@9.83TG 42:0ME221418--9.83745.6318
TG 42:0; [M+NH4]+@9.80TG 42:0ME221417--9.8740.6764
TG 42:1; [M+NH4]+@9.55TG 42:1ME221419--9.55738.6608
TG 44:1; [M+NH4]+@9.85TG 44:1ME221420--9.85766.6921
TG 44:2; [M+NH4]+@9.59TG 44:2ME221421--9.59764.6764
TG 46:0; [M+Na]+@10.18TG 46:0ME221423--10.18801.6944
TG 46:0; [M+NH4]+@10.39TG 46:0ME221422--10.39796.739
TG 46:1; [M+NH4]+@10.13TG 46:1ME221424--10.13794.7233
TG 46:2; [M+NH4]+@9.89TG 46:2ME221425--9.89792.7077
TG 46:3; [M+NH4]+@9.68TG 46:3ME221426--9.68790.6921
TG 48:0; [M+NH4]+@10.62TG 48:0ME221427--10.62824.7702
TG 48:1; [M+Na]+@9.05TG 48:1ME221429--9.05827.71
TG 48:1; [M+NH4]+@10.37TG 48:1ME221428--10.37822.7546
TG 48:2; [M+NH4]+@10.17TG 48:2ME221430--10.17820.739
TG 48:3; [M+NH4]+@9.94TG 48:3ME221431--9.94818.7233
TG 49:0; [M+NH4]+@10.74TG 49:0ME221432--10.74838.7859
TG 49:1; [M+NH4]+@10.53TG 49:1ME221433--10.53836.7702
TG 49:2; [M+NH4]+@10.31TG 49:2ME221434--10.31834.7546
TG 49:3; [M+NH4]+@10.09TG 49:3ME221435--10.09832.739
TG 50:0; [M+Na]+@10.87TG 50:0ME221437--10.87857.7569
TG 50:0; [M+NH4]+@10.86TG 50:0ME221436--10.86852.8015
TG 50:1; [M+Na]+@9.35TG 50:1ME221439--9.35855.7413
TG 50:1; [M+NH4]+@10.63TG 50:1ME221438--10.63850.7859
TG 50:2; [M+Na]+@10.44TG 50:2ME221441--10.44853.7257
TG 50:2; [M+NH4]+@10.43TG 50:2ME221440--10.43848.7702
TG 50:3; [M+Na]+@8.87TG 50:3ME221443--8.87851.71
TG 50:3; [M+NH4]+@10.21TG 50:3ME221442--10.21846.7546
TG 50:4; [M+NH4]+@10.02TG 50:4ME221444--10.02844.739
TG 50:5; [M+NH4]+@9.81TG 50:5ME221445--9.81842.7233
TG 51:1; [M+Na]+@10.77TG 51:1ME221447--10.77869.7569
TG 51:1; [M+NH4]+@10.77TG 51:1ME221446--10.77864.8015
TG 51:2; [M+NH4]+@10.56TG 51:2ME221448--10.56862.7859
TG 51:3; [M+NH4]+@10.37TG 51:3ME221449--10.37860.7702
TG 51:4; [M+NH4]+@10.18TG 51:4ME221450--10.18858.7546
TG 52:0; [M+Na]+@11.12TG 52:0ME221452--11.12885.7882
TG 52:0; [M+NH4]+@11.09TG 52:0ME221451--11.09880.8328
TG 52:1; [M+Na]+@10.53TG 52:1ME221454--10.53883.7726
TG 52:1; [M+NH4]+@10.85TG 52:1ME221453--10.85878.8172
TG 52:2; [M+NH4]+@10.65TG 52:2ME221455--10.65876.8015
TG 52:3; [M+Na]+@10.43TG 52:3ME221457--10.43879.7413
TG 52:3; [M+NH4]+@10.45TG 52:3ME221456--10.45874.7859
TG 52:4; [M+NH4]+@10.26TG 52:4ME221458--10.26872.7702
TG 52:5; [M+Na]+@10.07TG 52:5ME221460--10.07875.71
TG 52:5; [M+NH4]+@10.11TG 52:5ME221459--10.11870.7546
TG 52:6; [M+Na]+@9.85TG 52:6ME221461--9.85873.6944
TG 53:0; [M+NH4]+@11.20TG 53:0ME221462--11.2894.8484
TG 53:1; [M+NH4]+@10.98TG 53:1ME221463--10.98892.8328
TG 53:2; [M+NH4]+@10.81TG 53:2ME221464--10.81890.8172
TG 53:3; [M+NH4]+@10.61TG 53:3ME221465--10.61888.8015
TG 53:4; [M+NH4]+@10.41TG 53:4ME221466--10.41886.7859
TG 53:5; [M+NH4]+@10.22TG 53:5ME221467--10.22884.7702
TG 54:0; [M+NH4]+@11.34TG 54:0ME221468--11.34908.8641
TG 54:1; [M+NH4]+@11.12TG 54:1ME221469--11.12906.8484
TG 54:2; [M+NH4]+@10.90TG 54:2ME221470--10.9904.8328
TG 54:3; [M+NH4]+@10.69TG 54:3ME221471--10.69902.8172
TG 54:4; [M+NH4]+@10.50TG 54:4ME221472--10.5900.8015
TG 54:5; [M+NH4]+@10.30TG 54:5ME221473--10.3898.7859
TG 54:6; [M+Na]+@10.13TG 54:6ME221475--10.13901.7257
TG 54:6; [M+NH4]+@10.12TG 54:6ME221474--10.12896.7702
TG 54:7; [M+NH4]+@9.90TG 54:7ME221476--9.9894.7546
TG 54:8; [M+NH4]+@9.77TG 54:8ME221477--9.77892.739
TG 55:3; [M+NH4]+@10.83TG 55:3ME221478--10.83916.8328
TG 55:7; [M+NH4]+@10.13TG 55:7ME221479--10.13908.7702
TG 56:0; [M+NH4]+@11.61TG 56:0ME221480--11.61936.8954
TG 56:1; [M+NH4]+@11.36TG 56:1ME221481--11.36934.8797
TG 56:2; [M+NH4]+@11.14TG 56:2ME221482--11.14932.8641
TG 56:3; [M+NH4]+@10.93TG 56:3ME221483--10.93930.8484
TG 56:4; [M+NH4]+@10.77TG 56:4ME221484--10.77928.8328
TG 56:5; [M+Na]+@10.60TG 56:5ME221486--10.6931.7726
TG 56:5; [M+NH4]+@10.62TG 56:5ME221485--10.62926.8172
TG 56:6; [M+NH4]+@10.43TG 56:6ME221487--10.43924.8015
TG 56:7; [M+NH4]+@10.30TG 56:7ME221488--10.3922.7859
TG 56:8; [M+NH4]+@10.09TG 56:8ME221489--10.09920.7702
TG 58:10; [M+NH4]+@10.00TG 58:10ME221491--10944.7702
TG 58:11; [M+NH4]+@9.84TG 58:11ME221492--9.84942.7546
TG 58:12; [M+NH4]+@9.69TG 58:12ME221493--9.69940.739
TG 58:1; [M+NH4]+@11.63TG 58:1ME221490--11.63962.911
TG 58:2; [M+NH4]+@11.40TG 58:2ME221494--11.4960.8954
TG 58:3; [M+NH4]+@11.19TG 58:3ME221495--11.19958.8797
TG 58:4; [M+NH4]+@10.98TG 58:4ME221496--10.98956.8641
TG 58:5; [M+NH4]+@10.85TG 58:5ME221497--10.85954.8484
TG 58:6; [M+NH4]+@10.65TG 58:6ME221498--10.65952.8328
TG 58:8; [M+NH4]+@10.30TG 58:8ME221499--10.3948.8015
TG 58:9; [M+NH4]+@10.22TG 58:9ME221500--10.22946.7859
TG 60:10; [M+NH4]+@10.25TG 60:10ME221501--10.25972.8015
TG 60:11; [M+NH4]+@10.08TG 60:11ME221502--10.08970.7859
TG 60:12; [M+Na]+@9.95TG 60:12ME221504--9.95973.7257
TG 60:12; [M+NH4]+@9.94TG 60:12ME221503--9.94968.7702
TG 60:9; [M+NH4]+@10.41TG 60:9ME221505--10.41974.8172


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