Return to study ST000818 main page

Analysis: C18 NEGATIVE ION MODE/QTOF

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
16:0 LYSO PC (M+Cl)-LPC 16:0ME219583460602-22.259-
18:0 LYSO-PE (M-H)-LPE 18:0ME2195849547068-22.659-
1-METHYLXANTHINE (M-H)-1-MethylxanthineME21958280220-2.561-
24:0 SM (D18:1/24:0) (M+Cl)-SM 18:1;O2/24:0ME21959044260127-27.884-
2-DEOXY-D-GLUCOSE (M+Cl)-2-Deoxy-glucoseME219585439268-0.737-
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME219586853180-3.562-
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-2-Hydroxy-4-(methylthio)butanoic acidME21958711427-3.399-
2-HYDROXYBUTYRIC ACID (M-H)-2-Hydroxybutyric acidME21958811266-1.796-
2-METHYLMALEIC ACID (M-H)-Citraconic acidME219589643798-1.881-
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME219591440177-3.885-
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-3-Hydroxymethylglutaric acidME2195921662-1.594-
3-METHYL-2-OXOPENTANOIC ACID (M-H)-3-Methyl-2-oxovaleric acidME219593440877-4.479-
4-METHYL-2-OXOPENTANOIC ACID (M-H)-KetoleucineME21959470-4.888-
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME2195956723-1.912-
5-HYDROXYINDOLEACETIC ACID (M-H)-5-Hydroxyindoleacetic acidME2195961826-4.162-
ADIPIC ACID (M-H)-Adipic acidME219597196-3.647-
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-2-Hydroxyisobutyric acidME219598440873-1.765-
ARACHIDIC ACID (M-H)-Arachidic acidME21959910467-23.668-
ARACHIDONATE #2 (M-H)-Arachidonic acidME219600444899-22.817-
ARACHIDONIC ACID (M-H)-Arachidonic acidME219601444899-22.743-
BEHENIC ACID (M-H)-Behenic acidME2196028215-24.2-
BENZOIC ACID (M-H)-Benzoic acidME219603243-5.046-
BILIVERDIN (M-H)-BiliverdinME2196045280353-18.666-
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+Cl)--ME21960546891735-23.292-
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2196065282768-23.313-
CIS-VACCENIC ACID (M-H)-cis-Vaccenic acidME2196075282761-22.964-
CITRAMALIC ACID (M-H)-Citramalic acidME219608441696-1.433-
CITRIC ACID (M-H)-Citric acidME219609311-1.039-
CITRULLINE (M-H)-CitrullineME2196109750-0.645-
DEOXYADENOSINE (M+Cl)-DeoxyadenosineME21961113730-1.842-
DEOXYCHOLIC ACID (M+Cl)-Deoxycholic acidME219612222528-21.765-
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME219613222528-21.781-
DEOXYURIDINE (M+Cl)-DeoxyuridineME21961413712-1.686-
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-PE 16:0/16:0ME219615445468-24.728-
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME219616445580-22.734-
EDTA (M-H)-Edetic acidME2196176049-1.147-
ELAIDIC ACID (M-H)-Elaidic acidME219618637517-22.964-
EPIBRASSINOLIDE [ISTD] (M+Cl)-24-epi-BrassinolideME219619115196-19.979-
ERUCIC ACID (M-H)-cis-Erucic acidME2196205281116-23.729-
GERANYLGERANYL DIPHOSPHATE (M-H)-Geranylgeranyl diphosphateME219621447277-23.242-
GLUCOSE (M+Cl)-GlucoseME2196225793-0.644-
GLUTAMINE (M-H)-GlutamineME2196235961-0.621-
GLUTARIC ACID (M-H)-Glutaric acidME219624743-2.089-
GLYCOLITHOCHOLIC ACID (M-H)-Glycolithocholic acidME219625115245-21.656-
HEPTADECANOIC ACID (M-H)-Margaric acidME21962610465-23.049-
HIPPURIC ACID (M-H)-Hippuric acidME219627464-4.895-
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2196285283820-22.877-
ISOCITRIC ACID (M-H)-Isocitric acidME2196295318532-0.806-
ISOLEUCINE (M-H)-IsoleucineME2196306306-1.569-
ITACONIC ACID (M-H)-Itaconic acidME219631811-1.881-
KYNURENINE (M-H)-KynurenineME219632161166-2.184-
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME219636227-5.418-
LAURIC ACID (M-H)-Lauric acidME2196373893-21.822-
L-CARNITINE (M+Cl)-CarnitineME21963310917-0.644-
LEUCINE (M-H)-LeucineME2196386106-1.57-
L-HISTIDINE (M-H)-HistidineME2196346274-0.61-
LINOLEIC ACID (M-H)-Linoleic acidME2196395280450-22.757-
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME21963516217285-3.615-
MALIC ACID (M-H)-Malic acidME219640222656-0.816-
METHYLMALONIC ACID (M-H)-Methylmalonic acidME219641487-1.5-
MEVALONIC ACID (M-H)-Mevalonic acidME219642439230-1.591-
MYRISTIC ACID (M-H)-Myristic acidME21964311005-22.492-
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2196445281119-22.108-
N-ACETYL-DL-METHIONINE (M-H)-N-AcetylmethionineME219645448580-4.142-
N-ACETYLGLYCINE (M-H)-N-AcetylglycineME2196471097-0.918-
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME21964688064-1.523-
N-ACETYLNEURAMINIC ACID (M-H)-N-Acetylneuraminic acidME219648444885-0.681-
NERVONIC ACID (M-H)-Nervonic acidME2196505281120-24.272-
N-ETHYLMALEIMIDE (M-H)-N-EthylmaleimideME2196494362-3.479-
OLEIC ACID (M-H)-Oleic acidME219651445639-22.963-
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME219652970-0.563-
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-p-AcetamidophenylglucuronideME21965383944-2.282-
PALMITIC ACID (M-H)-Palmitic acidME219654985-22.881-
PALMITOLEIC ACID (M-H)-Palmitoleic acidME219655445638-22.62-
PANTOTHENIC ACID (M-H)-Pantothenic acidME2196566613-3.357-
PHENYLALANINE (M-H)-PhenylalanineME2196576140-2.517-
PHENYLPYRUVIC ACID (M-H)-Phenylpyruvic acidME219658997-5.527-
PHYTANIC ACID (M-H)-Phytanic acidME21965910380830-23.325-
RIBITOL (M+Cl)-RibitolME21966094154-0.658-
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-S-AdenosylhomocysteineME219661439155-1.542-
STEARIC ACID (M-H)-Stearic acidME2196625281-23.234-
SUCCINIC ACID (M-H)-Succinic acidME2196631110-1.334-
SUCROSE (M+Cl)-SucroseME2196645988-0.68-
TEREPHTHALIC ACID (M-H)-Terephthalic acidME2196657489-5.784-
THEOPHYLLINE (M-H)-TheophyllineME2196662153-4.489-
THYROXINE (M-H)-ThyroxineME2196675819-16.278-
TRANS-ACONITIC ACID (M-H)-trans-Aconitic acidME219668444212-1.218-
TRANS-VACCENIC ACID (M-H)-trans-Vaccenic acidME2196695281127-22.963-
TRYPTOPHAN (M-H)-TryptophanME2196706305-3.615-
TYROSINE (M-H)-TyrosineME2196716057-1.312-
URIC ACID (M-H)-Uric acidME2196721175-0.99-
URIDINE (M+Cl)-UridineME2196736029-1.379-
XANTHINE (M-H)-XanthineME2196741188-1.285-
ZEATIN [ISTD] (M+Cl)-trans-ZeatinME219675449093-3.896-
ZEATIN [ISTD] (M-H)-trans-ZeatinME219676449093-3.896-


Analysis: C18 POSITIVE ION MODE/QTOF

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+H)+PC 16:0_18:0ME21968218631368-25.507-
16:0 LYSO PC (M+H)+LPC 16:0ME219680460602-22.267-
16:0 LYSO PC (M+Na)+LPC 16:0ME219681460602-22.27-
18:0 LYSO-PE (M+H)+LPE 18:0ME2196839547068-22.694-
18:0 LYSO-PE (M+Na)+LPE 18:0ME2196849547068-22.701-
1-METHYLADENOSINE (M+H)+1-MethyladenosineME21967727476-3.055-
1-METHYLXANTHINE (M+H)+1-MethylxanthineME21967880220-2.511-
1-METHYLXANTHINE (M+Na)+1-MethylxanthineME21967980220-2.51-
20:0 LYSO PC (M+H)+LPC 20:0ME21968724779473-22.962-
20:0 LYSO PC (M+Na)+LPC 20:0ME21968824779473-22.959-
24:0 SM (D18:1/24:0) (M+H)+SM 18:1;O2/24:0ME21968944260127-27.898-
24:0 SM (D18:1/24:0) (M+Na)+SM 18:1;O2/24:0ME21969044260127-27.904-
2',4'-DIHYDROXYACETOPHENONE (M+H)+2',4'-DihydroxyacetophenoneME2196856990-7.617-
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]25-HydroxycholesterolME21969165094-22.819-
2-DEOXY-D-GLUCOSE (M+Na)+2-Deoxy-glucoseME219686439268-0.678-
3-(4-HYDROXYPHENYL)LACTIC ACID (M+Na)+Hydroxyphenyllactic acidME219692440177-3.889-
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]3-HydroxybenzaldehydeME219693101-4.884-
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+CAR 12:0;OHME21969471464535-16.125-
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME2196959307-2-
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+4-Quinolinecarboxylic acidME21969610243-5.032-
5-AMINOPENTANOIC ACID (M+H)+5-Aminopentanoic acidME219698138-0.734-
5-HYDROXYINDOLEACETIC ACID (M+Na)+5-Hydroxyindoleacetic acidME2196991826-4.149-
5-HYDROXYTRYPTOPHAN (M+H)+5-Hydroxy-tryptophanME219700439280-1.777-
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME219697439176-4.508-
ACETAMINOPHEN (TN TYLENOL) (M+H)+AcetaminophenME2197011983-3.103-
ACETAMINOPHEN (TN TYLENOL) (M+Na)+AcetaminophenME2197021983-3.004-
ACETYLCARNITINE (M+H)+CAR 2:0ME21970318230-0.894-
ALPHA-LINOLENIC ACID (M+Na)+alpha-Linolenic acidME2197045280934-22.866-
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME21970514985-24.588-
ASPARAGINE (M+H)+AsparagineME2197066267-0.641-
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2197078343-23.112-
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+bis(2-Ethylhexyl)phthalic acidME2197088343-23.114-
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME219709213144-2.872-
CAFFEINE (M+H)+CaffeineME2197102519-5.969-
CALCIDIOL (M+H)+[-H2O]25-Hydroxyvitamin D3ME2197115283731-22.601-
CARNITINE (M+H)+CarnitineME21971210917-0.618-
CARNOSINE (M+H)+CarnosineME219713439224-0.668-
CARNOSINE (M+Na)+CarnosineME219714439224-0.653-
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]Cholesterol sulfateME21971665076-23.895-
CHOLESTEROL (M+H)+[-H2O]CholesterolME2197155997-24.682-
CHOLINE M+CholineME219717305-0.607-
CITRIC ACID (M+Na)+Citric acidME219718311-1.035-
CREATINE (M+H)+CreatineME219719586-0.677-
CREATININE (M+H)+CreatinineME219720588-0.678-
CYSTATHIONINE (M+H)+CystathionineME219721439258-0.627-
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+Na)+Cytidine 5'-diphosphocholineME21972213804-0.702-
DECANOYLCARNITINE (*) (M+H)+CAR 10:0ME21972311953821-15.22-
DECENOYLCARNITINE (*) (M+H)+CAR 10:1ME21972457357170-13.874-
DODECENOYLCARNITINE (*) II M+CAR 12:1ME21972553481671-16.656-
DODECENOYLCARNITINE (*) M+CAR 12:1ME21972653481671-16.469-
DUMP (M+H)+dUMPME21972765063-0.964-
EICOSANOYLCARNITINE (*) (M+H)+CAR 20:0ME21972853477833-22.053-
EICOSATRIENOYLCARNITINE (*) M+CAR 20:3ME21972987076458-21.189-
EICOSENOYLCARNITINE (*) (M+H)+CAR 20:1ME21973071464507-21.832-
ELAIDIC ACID (M+H)+Elaidic acidME219731637517-22.951-
ELAIDIC ACID (M+Na)+Elaidic acidME219732637517-22.92-
EPIBRASSINOLIDE [ISTD] (M+H)+24-epi-BrassinolideME219733115196-20.021-
EPIBRASSINOLIDE [ISTD] (M+Na)+24-epi-BrassinolideME219734115196-20.02-
GAMMA-LINOLENIC ACID (M+Na)+gamma-Linolenic acidME2197355280933-22.866-
GLUCOSE (M+Na)+GlucoseME2197365793-0.731-
GLUTARYLCARNITINE (*) (M+H)+CAR DC5:0ME21973753481622-1.88-
GLYCEROL MYRISTATE (M+Na)+MG 14:0ME21973879050-22.189-
GLYCOCHENODEOXYCHOLIC ACID (M+H)+Glycochenodeoxycholic acidME2197399548796-20.495-
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]Glycochenodeoxycholic acidME2197409548796-20.486-
GLYCOCHENODEOXYCHOLIC ACID (M+Na)+Glycochenodeoxycholic acidME2197419548796-20.498-
GLYCOCHOLIC ACID (M+H)+[-H2O]Glycocholic acidME21974210140-18.851-
HEXANOYLCARNITINE (*) M+CAR 6:0ME2197433246939-6.976-
HIPPURIC ACID (M+H)+Hippuric acidME219744464-4.884-
HIPPURIC ACID (M+Na)+Hippuric acidME219745464-4.884-
HOMOGENTISIC ACID (M+H)+Homogentisic acidME219746780-2.122-
HOMOVANILLIC ACID (M+H)+Homovanillic acidME2197471738-5.825-
INDOLE-3-ACETALDEHYDE (M+H)+IndoleacetaldehydeME219748800-1.727-
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME219749168379-2.79-
ISOLEUCINE (M+H)+IsoleucineME2197506306-1.528-
ISOLEUCINE (M+Na)+IsoleucineME2197516306-1.512-
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME219752169235-4.535-
KYNURENINE (M+H)+KynurenineME219753161166-2.177-
KYNURENINE (M+Na)+KynurenineME219754161166-2.167-
L-ARGININE (M+H)+ArginineME2197556322-0.602-
L-ARGININE (M+Na)+ArginineME2197566322-0.588-
LAUROYLCARNITINE (M+H)+CAR 12:0ME219759168381-17.814-
LEUCINE (M+H)+LeucineME2197606106-1.561-
LEUCINE (M+Na)+LeucineME2197616106-1.512-
LINOLEOYLCARNITINE (*) (M+H)+CAR 18:2ME2197626450015-20.862-
LL-2,6-DIAMINOHEPTANEDIOIC ACID (M+H)+[-H2O]2,6-Diaminopimelic acidME21976399290-0.674-
L-METHIONINE SULFOXIMINE (M+Na)+Methionine sulfoximineME21975789034-0.638-
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME21975816217285-3.606-
LYSINE (M+H)+LysineME2197645962-0.506-
LYSINE (M+Na)+LysineME2197655962-0.543-
METHIONINE (M+H)+MethionineME2197666137-0.968-
METHYL BETA-D-GALACTOSIDE (M+Na)+Methyl beta-D-galactosideME21976794214-0.688-
METHYL JASMONATE (M+Na)+Methyl jasmonateME2197685281929-16-
MYRISTOYLCARNITINE (*) (M+H)+CAR 14:0ME2197693413344-19.75-
N6,N6,N6-TRIMETHYL-L-LYSINE (M+H)+N-6-TrimethyllysineME219774440120-0.595-
N-ACETYL-DL-METHIONINE (M+Na)+N-AcetylmethionineME219770448580-4.138-
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME21977165249-0.878-
N-ACETYLNEURAMINIC ACID (M+H)+N-Acetylneuraminic acidME219772444885-0.643-
N-CYCLOHEXYLFORMAMIDE (M+H)+N-CyclohexylformamideME21977313017-8.023-
OCTANOYLCARNITINE (*) (M+H)+CAR 8:0ME219775123701-11.63-
OCTENOYLCARNITINE (*) M+CAR 8:1ME21977671464472-9.524-
OLEAMIDE (M+H)+OleamideME2197775283387-22.629-
OLEAMIDE (M+Na)+OleamideME2197785283387-22.629-
OLEIC ACID (M+H)+Oleic acidME219779445639-22.546-
OLEIC ACID (M+Na)+Oleic acidME219780445639-22.55-
OLEOYLCARNITINE (*) (M+H)+CAR 18:1ME2197826441392-21.408-
OLEOYL-GLYCEROL (M+Na)+MG 18:1ME2197815319879-22.73-
ORNITHINE (M+H)+OrnithineME2197836262-0.506-
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+p-AcetamidophenylglucuronideME21978483944-2.274-
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+Na)+p-AcetamidophenylglucuronideME21978583944-2.273-
PALMITOLEYLCARNITINE (*) M+CAR 16:1ME21978671464547-20.312-
PALMITOYLCARNITINE (M+H)+CAR 16:0ME21978711953816-21.189-
PANTOTHENIC ACID (M+H)+Pantothenic acidME2197886613-3.332-
PANTOTHENIC ACID (M+Na)+Pantothenic acidME2197896613-3.349-
PHENYLALANINE (M+H)+PhenylalanineME2197906140-2.413-
PIPECOLIC ACID (M+H)+Pipecolic acidME219791849-0.924-
PROLINE (M+H)+ProlineME219792145742-0.684-
PROLINE (M+Na)+ProlineME219793145742-0.669-
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME219794107738-1.591-
PYRIDOXAL (M+H)+[-H2O]PyridoxalME2197951050-0.968-
PYRIDOXAMINE (M+H)+PyridoxamineME2197961052-0.543-
SEROTONIN (M+H)+SerotoninME2197975202-1.632-
SEROTONIN (M+Na)+SerotoninME2197985202-1.635-
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME219799439285-0.696-
SPERMIDINE (M+H)+SpermidineME2198001102-0.512-
SPHINGANINE (M+H)+SphinganineME219801644260-20.736-
SPHINGOSINE (M+H)+SphingosineME2198025280335-20.287-
SPHINGOSINE (M+H)+[-H2O]SphingosineME2198035280335-20.287-
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME21980452922056-21.749-
TETRADECADIENOYLCARNITINE (*) M+CAR 14:2ME21980553481681-17.741-
TETRADECENOYLCARNITINE (*) M+CAR 14:1ME21980622833575-18.841-
THEOBROMINE (M+H)+TheobromineME2198075429-3.511-
THEOPHYLLINE (M+H)+TheophyllineME2198082153-4.314-
THEOPHYLLINE (M+Na)+TheophyllineME2198092153-4.412-
THREONINE (M+H)+[-H2O]ThreonineME2198106288-0.947-
TRANS-3'-HYDROXYCOTININE (M+H)+trans-3-HydroxycotinineME219811107963-1.009-
TRANS-CYCLOHEXANE-1,2-DIOL (M+Na)+trans-Cyclohexane-1,2-diolME21981292886-3.834-
TRYPTOPHAN (M+H)+TryptophanME2198136305-3.606-
TRYPTOPHAN (M+Na)+TryptophanME2198146305-3.604-
TYROSINE (M+H)+TyrosineME2198156057-1.303-
TYROSINE (M+Na)+TyrosineME2198166057-1.304-
URIC ACID (M+H)+Uric acidME2198171175-1.004-
URIDINE (M+Na)+UridineME2198186029-1.367-
URSODIOL (M+H)+[-H2O]Ursodeoxycholic acidME21981931401-21.698-
VALINE (M+H)+ValineME2198206287-0.867-
VALINE (M+Na)+ValineME2198216287-0.862-
XANTHOSINE (M+H)+XanthosineME21982264959-2.343-
ZEATIN [ISTD] (M+H)+trans-ZeatinME219823449093-3.888-


Analysis: C18 NEGATIVE ION MODE/Triple TOF

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CerP 34:1; [M-H]-@5.78CerP 34:1;O2ME219831--5.78-
CL 70:5; [M-2H](2-)@5.87CL 70:5ME219824--5.87-
CL 72:3; [M-2H](2-)@6.59CL 72:3ME219825--6.59-
CL 74:5; [M-2H](2-)@5.76CL 74:5ME219826--5.76-
CL 74:9; [M-2H](2-)@5.81CL 74:9ME219827--5.81-
CL 78:3; [M-2H](2-)@7.47CL 78:3ME219828--7.47-
CL 82:13; [M-2H](2-)@6.35CL 82:13ME219829--6.35-
CL 82:15; [M-2H](2-)@5.92CL 82:15ME219830--5.92-
FFA(16:0)Palmitic acidME219832----
FFA(18:0)Stearic acidME2198335281---
FFA(18:1)Octadecenoic acidME219834----
FFA(18:2)Octadecadienoic acidME219835----
FFA(20:0)Arachidic acidME21983610467---
FFA(20:1)Heneicosenoic acidME219837----
FFA(20:2)Eicosadienoic acidME219838----
FFA(20:4) Arachidonic acidArachidonic acidME219839----
FFA(22:0)Behenic acidME2198408215---
FFA(22:1)Docosenoic acidME219841----
FFA(22:2)Docosadienoic acidME219842----
FFA(22:3)Docosatrienoic acidME219843----
FFA(24:0)Lignoceric acidME21984411197---
FFA(24:1)Tetracosenoic acidME219845----
FFA(24:2)Tetracosadienoic acidME219846----
FFA(24:3)Tetracosatrienoic acidME21984752921854---
lysoPE 16:0; [M-H]-@1.61LPE 16:0ME219919--1.61-
lysoPE 17:0; [M-H]-@1.99LPE 17:0ME21992052925149-1.99-
lysoPE 18:0; [M-H]-@2.37LPE 18:0ME219921--2.37-
lysoPE 18:1; [M-H]-@1.78LPE 18:1ME219922--1.78-
lysoPE 18:2; [M-H]-@1.33LPE 18:2ME219923--1.33-
lysoPE 20:3; [M-H]-@1.59LPE 20:3ME219924--1.59-
lysoPE 20:4; [M-H]-@1.31LPE 20:4ME219925--1.31-
lysoPE 20:5; [M-H]-@1.04LPE 20:5ME219926--1.04-
lysoPE 22:4; [M-H]-@1.84LPE 22:4ME219927--1.84-
lysoPE 22:5; [M-H]-@1.50LPE 22:5ME219928--1.5-
lysoPE 22:6; [M-H]-@1.26LPE 22:6ME219929--1.26-
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.46Cer 18:1;O2/24:1ME2198485283568-8.46-
N-(docosanoyl)-sphing-4-enine; [M-H]-@8.44Cer 18:1;O2/22:0ME2198495283567-8.44-
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.82Cer 18:1;O2/16:0ME2198505283564-6.82-
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.90Cer 18:1;O2/24:0ME2198515283571-8.9-
PA 32:1; [M-H]-@6.01PA 32:1ME219852--6.01-
PA 34:2; [M-H]-@6.20PA 34:2ME219853--6.2-
PC 19:2; [M-Ac-H]-@1.31PC 19:2ME219854--1.31-
PC 30:1; [M-Ac-H]-@5.36PC 30:1ME219855--5.36-
PC 31:0; [M-Ac-H]-@6.16PC 31:0ME219856--6.16-
PC 32:0; [M-Ac-H]-@6.53PC 32:0ME219857--6.53-
PC 33:1; [M-Ac-H]-@6.37PC 33:1ME219858--6.37-
PC 33:2; [M-Ac-H]-@5.90PC 33:2ME219859--5.9-
PC 34:4; [M-Ac-H]-@5.47PC 34:4ME219860--5.47-
PC 35:1; [M-Ac-H]-@6.93PC 35:1ME219861--6.93-
PC 37:1; [M-Ac-H]-@7.44PC 37:1ME219862--7.44-
PC 37:2; [M-Ac-H]-@7.10PC 37:2ME219863--7.1-
PC 37:4; [M-Ac-H]-@6.45PC 37:4ME219864--6.45-
PC 39:4; [M-Ac-H]-@7.08PC 39:4ME219865--7.08-
PC 40:5; [M-Ac-H]-@7.09PC 40:5ME219866--7.09-
PC 42:10; [M-Ac-H]-@5.66PC 42:10ME219867--5.66-
PE 30:0; [M-H]-@6.03PE 30:0ME219868--6.03-
PE 32:1; [M-H]-@6.18PE 32:1ME219869--6.18-
PE 33:1; [M-H]-@6.50PE 33:1ME219870--6.5-
PE 33:2; [M-H]-@6.02PE 33:2ME219871--6.02-
PE 34:1; [M-H]-@6.80PE 34:1ME219872--6.8-
PE 34:2; [M-H]-@6.34PE 34:2ME219873--6.34-
PE 34:3; [M-H]-@5.93PE 34:3ME219874--5.93-
PE 35:0; [M-H]-@7.52PE 35:0ME219875--7.52-
PE 35:1; [M-H]-@7.05PE 35:1ME219876--7.05-
PE 35:2; [M-H]-@6.63PE 35:2ME219877--6.63-
PE 35:4; [M-H]-@6.01PE 35:4ME219878--6.01-
PE 36:1; [M-H]-@7.36PE 36:1ME219879--7.36-
PE 36:2; [M-H]-@6.92PE 36:2ME219880--6.92-
PE 36:3; [M-H]-@6.49PE 36:3ME219881--6.49-
PE 36:4; [M-H]-@6.15PE 36:4ME219882--6.15-
PE 36:5; [M-H]-@5.90PE 36:5ME219883--5.9-
PE 37:3; [M-H]-@6.84PE 37:3ME219884--6.84-
PE 37:4; [M-H]-@6.62PE 37:4ME219885--6.62-
PE 37:5; [M-H]-@6.13PE 37:5ME219886--6.13-
PE 37:6; [M-H]-@5.89PE 37:6ME219887--5.89-
PE 38:1; [M-H]-@7.82PE 38:1ME219888--7.82-
PE 38:3; [M-H]-@7.21PE 38:3ME219889--7.21-
PE 38:4; [M-H]-@6.87PE 38:4ME219890--6.87-
PE 38:5; [M-H]-@6.50PE 38:5ME219891--6.5-
PE 38:6; [M-H]-@6.07PE 38:6ME219892--6.07-
PE 38:7; [M-H]-@5.78PE 38:7ME219893--5.78-
PE 40:4; [M-H]-@7.35PE 40:4ME219894--7.35-
PE 40:5; [M-H]-@6.32PE 40:5ME219895--7.05-
PE 40:5; [M-H]-@7.05PE 40:5ME219896--7.05-
PE 40:6; [M-H]-@6.83PE 40:6ME219897--6.83-
PE 40:7; [M-H]-@6.30PE 40:7ME219898--6.3-
PE 40:8; [M-H]-@5.93PE 40:8ME219899--5.93-
PG 34:1; [M-H]-@5.92PG 34:1ME219900--5.92-
PG 36:0; [M-H]-@6.92PG 36:0ME219901--6.92-
PG 36:2; [M-H]-@5.97PG 36:2ME219902--5.97-
PI 32:1; [M-H]-@5.07PI 32:1ME219903--5.07-
PI 34:1; [M-H]-@5.74PI 34:1ME219904--5.74-
PI 34:2; [M-H]-@5.28PI 34:2ME219905--5.28-
PI 35:1; [M-H]-@6.00PI 35:1ME219906--6-
PI 36:2; [M-H]-@5.94PI 36:2ME219907--5.94-
PI 36:3; [M-H]-@5.45PI 36:3ME219908--5.45-
PI 36:4; [M-H]-@5.28PI 36:4ME219909--5.28-
PI 38:3; [M-H]-@6.16PI 38:3ME219910--6.16-
PI 38:4; [M-H]-@5.89PI 38:4ME219911--5.89-
PI 38:5; [M-H]-@5.38PI 38:5ME219912--5.38-
PI 40:5; [M-H]-@5.98PI 40:5ME219913--5.98-
PI 40:6; [M-H]-@5.84PI 40:6ME219914--5.84-
plasmenyl-PE 32:0; [M-H]-@7.02PE P-32:0ME219930--7.02-
plasmenyl-PE 32:1; [M-H]-@6.52PE P-32:1ME219931--6.52-
plasmenyl-PE 33:1; [M-H]-@6.81PE P-33:1ME219932--6.81-
plasmenyl-PE 34:0; [M-H]-@7.27PE P-34:0ME219933--7.27-
plasmenyl-PE 34:1; [M-H]-@7.10PE P-34:1ME219934--7.1-
plasmenyl-PE 34:2; [M-H]-@6.65PE P-34:2ME219935--6.65-
plasmenyl-PE 34:3; [M-H]-@6.29PE P-34:3ME219936--6.29-
plasmenyl-PE 36:1; [M-H]-@7.66PE P-36:1ME219937--7.66-
plasmenyl-PE 36:2; [M-H]-@7.24PE P-36:2ME219938--7.24-
plasmenyl-PE 36:3; [M-H]-@6.82PE P-36:3ME219939--6.82-
plasmenyl-PE 36:4; [M-H]-@6.58PE P-36:4ME219940--6.58-
plasmenyl-PE 36:5; [M-H]-@6.24PE P-36:5ME219941--6.24-
plasmenyl-PE 38:1; [M-H]-@8.16PE P-38:1ME219942--8.16-
plasmenyl-PE 38:2; [M-H]-@7.79PE P-38:2ME219943--7.79-
plasmenyl-PE 38:3; [M-H]-@7.41PE P-38:3ME219944--7.41-
plasmenyl-PE 38:4; [M-H]-@7.29PE P-38:4ME219945--7.29-
plasmenyl-PE 38:5; [M-H]-@6.68PE P-38:5ME219946--6.68-
plasmenyl-PE 38:6; [M-H]-@6.49PE P-38:6ME219947--6.49-
plasmenyl-PE 40:3; [M-H]-@8.02PE P-40:3ME219948--8.02-
plasmenyl-PE 40:4; [M-H]-@7.71PE P-40:4ME219949--7.71-
plasmenyl-PE 40:5; [M-H]-@7.34PE P-40:5ME219950--7.34-
plasmenyl-PE 40:6; [M-H]-@7.09PE P-40:6ME219951--7.09-
plasmenyl-PE 42:5; [M-H]-@7.82PE P-42:5ME219952--7.82-
plasmenyl-PE 42:6; [M-H]-@7.70PE P-42:6ME219953--7.7-
PS 36:1; [M-H]-@6.52PS 36:1ME219915--6.52-
PS 38:4; [M-H]-@6.06PS 38:4ME219916--6.06-
Unknown_742.54(-)@5.61-ME219917----
Unknown_742.54(-)@6.25-ME219918----


Analysis: C18 POSITIVE ION MODE/Triple TOF

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]+@10.93CE 16:0ME219954246520-10.93-
CE(16:1); [M+NH4]+@10.63CE 16:1ME219955--10.63-
CE(17:1); [M+NH4]+@10.82CE 17:1ME21995624779603-10.82-
CE(18:1); [M+NH4]+@10.88CE 18:1ME2199575283632-10.88-
CE(18:2); [M+NH4]+@10.70CE 18:2ME2199585287939-10.7-
CE(18:3); [M+NH4]+@10.46CE 18:3ME2199596436907-10.46-
CE(20:1); [M+NH4]+@11.23CE 20:1ME21996016061337-11.23-
CE(20:2); [M+NH4]+@11.03CE 20:2ME21996116061338-11.03-
CE(20:3); [M+NH4]+@10.73CE 20:3ME21996214274976-10.73-
CE(20:4); [M+NH4]+@10.51CE 20:4ME2199636479222-10.51-
CE(20:5); [M+NH4]+@10.35CE 20:5ME21996410372299-10.35-
CE(22:4); [M+NH4]+@10.83CE 22:4ME21996516061341-10.83-
CE(22:5); [M+NH4]+@10.66CE 22:5ME21996642608400-10.66-
CE(22:6); [M+NH4]+@10.44CE 22:6ME21996714274978-10.44-
DG 26:1; [M+NH4]+@5.51DG 26:1ME219968--5.51-
DG 30:0; [M+NH4]+@7.35DG 30:0ME219969--7.35-
DG 32:0; [M+NH4]+@7.86DG 32:0ME219970--7.86-
DG 32:1; [M+NH4]+@7.43DG 32:1ME219971--7.43-
DG 32:2; [M+NH4]+@6.99DG 32:2ME219972--6.99-
DG 33:1; [M+NH4]+@7.70DG 33:1ME219973--7.7-
DG 34:0; [M+NH4]+@8.36DG 34:0ME219974--8.36-
DG 34:2; [M+NH4]+@7.52DG 34:2ME219975--7.52-
DG 34:3; [M+NH4]+@7.16DG 34:3ME219976--7.16-
DG 34:4; [M+NH4]+@6.83DG 34:4ME219977--6.83-
DG 35:1; [M+NH4]+@8.16DG 35:1ME219978--8.16-
DG 35:2; [M+NH4]+@7.81DG 35:2ME219979--7.81-
DG 36:0; [M+NH4]+@8.68DG 36:0ME219980--8.68-
DG 36:1; [M+NH4]+@8.41DG 36:1ME219981--8.41-
DG 36:2; [M+NH4]+@8.00DG 36:2ME219982--8-
DG 36:3; [M+NH4]+@7.67DG 36:3ME219983--7.67-
DG 36:4; [M+NH4]+@7.34DG 36:4ME219984--7.34-
DG 36:5; [M+NH4]+@6.97DG 36:5ME219985--6.97-
DG 38:1; [M+NH4]+@8.64DG 38:1ME219986--8.64-
DG 38:2; [M+NH4]+@8.47DG 38:2ME219987--8.47-
DG 38:3; [M+NH4]+@8.17DG 38:3ME219988--8.17-
DG 38:4; [M+NH4]+@8.01DG 38:4ME219989--8.01-
DG 38:5; [M+NH4]+@7.55DG 38:5ME219990--7.55-
DG 38:6; [M+NH4]+@7.24DG 38:6ME219991--7.24-
DG 38:7; [M+NH4]+@6.87DG 38:7ME219992--6.87-
DG 40:3; [M+NH4]+@8.57DG 40:3ME219993--8.57-
DG 40:6; [M+NH4]+@7.74DG 40:6ME219994--7.74-
DG 40:7; [M+NH4]+@7.46DG 40:7ME219995--7.46-
lysoPC 14:0; [M+H]+@1.04LPC 14:0ME220188--1.04-
lysoPC 15:0; [M+H]+@1.20LPC 15:0ME22018924779458-1.2-
lysoPC 16:0; [M+H]+@1.54LPC 16:0ME220190--1.54-
lysoPC 16:1; [M+H]+@1.22LPC 16:1ME220191--1.22-
lysoPC 17:1; [M+H]+@1.41LPC 17:1ME220192--1.41-
lysoPC 18:0; [M+H]+@2.31LPC 18:0ME220193--2.31-
lysoPC 18:1; [M+H]+@1.71LPC 18:1ME220194--1.71-
lysoPC 18:2; [M+H]+@1.30LPC 18:2ME220195--1.3-
lysoPC 18:3; [M+H]+@1.07LPC 18:3ME220196--1.07-
lysoPC 19:0; [M+H]+@2.79LPC 19:0ME22019724779472-2.79-
lysoPC 20:0; [M+H]+@3.25LPC 20:0ME22019824779473-3.25-
lysoPC 20:1; [M+H]+@2.48LPC 20:1ME220199--2.48-
lysoPC 20:2; [M+H]+@1.89LPC 20:2ME22020052924053-1.89-
lysoPC 20:3; [M+H]+@1.49LPC 20:3ME220201--1.49-
lysoPC 20:4; [M+H]+@1.34LPC 20:4ME220202--1.34-
lysoPC 20:5; [M+H]+@0.99LPC 20:5ME22020311757087-0.99-
lysoPC 22:0; [M+H]+@4.17LPC 22:0ME22020424779479-4.17-
lysoPC 22:1; [M+H]+@3.36LPC 22:1ME220205--3.36-
lysoPC 22:4; [M+H]+@1.74LPC 22:4ME22020652924039-1.74-
lysoPC 22:5; [M+H]+@1.45LPC 22:5ME220207--1.45-
lysoPC 22:6; [M+H]+@1.27LPC 22:6ME22020810415542-1.27-
lysoPC 24:0; [M+H]+@5.06LPC 24:0ME22020924779481-5.06-
lysoPC 24:1; [M+H]+@4.20LPC 24:1ME22021053480477-4.2-
lysoPE 16:1; [M+H]+@1.18LPE 16:1ME220211--1.18-
MG 17:0; [M+Li]+@3.12MG 17:0ME219996107036-3.12-
PC 19:1; [M+H]+@1.76PC 19:1ME21999724778752-1.76-
PC 21:4; [M+Na]+@1.26PC 21:4ME219998--1.26-
PC 26:0; [M+H]+@4.42PC 26:0ME219999--4.42-
PC 28:0; [M+H]+@5.17PC 28:0ME220000--5.17-
PC 29:0; [M+H]+@5.50PC 29:0ME220001--5.5-
PC 30:0; [M+H]+@5.78PC 30:0ME220002--5.78-
PC 30:3; [M+H]+@5.13PC 30:3ME220003--5.13-
PC 31:1; [M+Na]+@5.66PC 31:1ME220004--5.66-
PC 32:0; [M+H]+@6.45PC 32:0ME220005--6.45-
PC 32:1; [M+H]+@5.93PC 32:1ME220006--5.93-
PC 32:2; [M+H]+@6.54PC 32:2ME220007--6.54-
PC 32:3; [M+H]+@5.11PC 32:3ME220008--5.11-
PC 32:4; [M+H]+@5.35PC 32:4ME220009--5.35-
PC 33:3; [M+H]+@5.47PC 33:3ME220010--5.47-
PC 34:1; [M+H]+@6.54PC 34:1ME220011--6.54-
PC 34:2; [M+H]+@6.12PC 34:2ME220012--6.12-
PC 34:3; [M+H]+@5.61PC 34:3ME220013--5.61-
PC 35:2; [M+H]+@6.48PC 35:2ME220014--6.48-
PC 35:3; [M+H]+@6.31PC 35:3ME220015--6.31-
PC 35:4; [M+H]+@5.58PC 35:4ME220016--5.58-
PC 35:5; [M+H]+@5.43PC 35:5ME220017--5.43-
PC 36:0; [M+H]+@7.63PC 36:0ME220018--7.63-
PC 36:1; [M+H]+@7.16PC 36:1ME220019--7.16-
PC 36:3; [M+H]+@6.29PC 36:3ME220020--6.29-
PC 36:4; [M+H]+@6.00PC 36:4ME220021--6-
PC 36:5; [M+H]+@5.71PC 36:5ME220022--5.71-
PC 36:6; [M+H]+@5.43PC 36:6ME220023--5.43-
PC 36:7; [M+H]+@5.28PC 36:7ME220024--5.28-
PC 37:6; [M+H]+@5.63PC 37:6ME220025--5.63-
PC 38:2; [M+H]+@7.32PC 38:2ME220026--7.32-
PC 38:3; [M+H]+@6.95PC 38:3ME220027--6.95-
PC 38:4; [M+H]+@6.73PC 38:4ME220028--6.73-
PC 38:5; [M+H]+@6.23PC 38:5ME220029--6.23-
PC 38:6; [M+H]+@6.03PC 38:6ME220030--6.03-
PC 38:7; [M+H]+@5.50PC 38:7ME220031--5.5-
PC 38:8; [M+H]+@5.31PC 38:8ME220032--5.31-
PC 38:9; [M+H]+@5.39PC 38:9ME220033--5.39-
PC 39:7; [M+H]+@6.12PC 39:7ME220034--6.12-
PC 40:10; [M+H]+@5.44PC 40:10ME220035--5.44-
PC 40:2; [M+H]+@7.83PC 40:2ME220036--7.83-
PC 40:3; [M+H]+@7.59PC 40:3ME220037--7.59-
PC 40:4; [M+H]+@7.58PC 40:4ME220038--7.58-
PC 40:6; [M+H]+@6.66PC 40:6ME220039--6.66-
PC 40:7; [M+H]+@6.79PC 40:7ME220040--6.79-
PC 40:8; [M+H]+@6.30PC 40:8ME220041--6.3-
PC 40:9; [M+H]+@5.98PC 40:9ME220042--5.98-
PC 41:5; [M+H]+@7.05PC 41:5ME220043--7.05-
PC 41:6; [M+H]+@7.01PC 41:6ME220044--7.01-
PC 42:4; [M+H]+@7.89PC 42:4ME220045--7.89-
PC 42:5; [M+H]+@7.62PC 42:5ME220046--7.62-
PC 42:7; [M+H]+@6.76PC 42:7ME220047--6.76-
PC 42:8; [M+H]+@6.31PC 42:8ME220048--6.31-
PC 42:9; [M+H]+@5.72PC 42:9ME220049--5.72-
PC 44:5; [M+H]+@7.89PC 44:5ME220050--7.89-
PE 36:0; [M+H]+@7.75PE 36:0ME220051--7.75-
plasmenyl-PC 18:0; [M+Na]+@1.75PC P-18:0ME220212--1.75-
plasmenyl-PE 42:4; [M+H]+@8.10PE P-42:4ME220213--8.1-
SM 21:0; [M]+@1.61SM 18:1;O2/21:0ME220052--1.61-
SM 30:1; [M]+@4.30SM 30:1;O2ME220053--4.3-
SM 31:1; [M]+@4.71SM 31:1;O2ME220054--4.71-
SM 32:0; [M]+@5.36SM 32:0;O2ME22005544260138-5.36-
SM 32:1; [M]+@5.08SM 32:1;O2ME22005611433862-5.08-
SM 32:2; [M]+@4.57SM 32:2;O2ME220057--4.57-
SM 33:0; [M]+@5.70SM 33:0;O2ME220058--5.7-
SM 33:1; [M]+@5.26SM 33:1;O2ME22005952931139-5.26-
SM 33:2; [M]+@4.88SM 33:2;O2ME220060--4.88-
SM 34:1; [M]+@5.76SM 34:1;O2ME220061--5.76-
SM 34:2; [M]+@5.17SM 34:2;O2ME220062--5.17-
SM 35:0; [M]+@6.38SM 35:0;O2ME220063--6.38-
SM 35:2; [M]+@5.45SM 35:2;O2ME220064--5.45-
SM 36:1; [M]+@6.41SM 36:1;O2ME22006544260139-6.41-
SM 36:2; [M]+@5.91SM 36:2;O2ME220066--5.91-
SM 37:1; [M]+@6.80SM 37:1;O2ME220067--6.8-
SM 37:2; [M]+@6.31SM 37:2;O2ME220068--6.31-
SM 38:1; [M]+@6.99SM 38:1;O2ME220069--6.99-
SM 39:0; [M]+@7.60SM 18:1;O2/39:0ME220070--7.6-
SM 39:1; [M]+@7.33SM 39:1;O2ME220071--7.33-
SM 39:2; [M]+@6.91SM 39:2;O2ME220072--6.91-
SM 40:0; [M]+@7.85SM 40:0;O2ME22007344260132-7.85-
SM 40:1; [M]+@7.59SM 40:1;O2ME220074--7.59-
SM 40:2; [M]+@7.14SM 40:2;O2ME220075--7.14-
SM 40:4; [M]+@6.24SM 40:4;O2ME220076--6.24-
SM 41:1; [M]+@7.60SM 41:1;O2ME220077--7.6-
SM 41:2; [M+Na]+@7.45SM 41:2;O2ME220078--7.45-
SM 42:1; [M]+@8.10SM 42:1;O2ME22007944260133-8.1-
SM 42:2; [M]+@7.61SM 42:2;O2ME220080--7.61-
SM 42:4; [M]+@6.83SM 42:4;O2ME220081--6.83-
SM 42:5; [M]+@6.45SM 42:5;O2ME220082--6.45-
SM 43:1; [M+Na]+@8.32SM 43:1;O2ME220083--8.32-
SM 43:2; [M]+@8.08SM 43:2;O2ME220084--8.08-
SM 44:1; [M]+@8.61SM 44:1;O2ME220085--8.61-
TG 40:0; [M+NH4]+@9.47TG 40:0ME220086--9.47-
TG 40:1; [M+NH4]+@9.14TG 40:1ME220087--9.14-
TG 42:0; [M+NH4]+@9.75TG 42:0ME220088--9.75-
TG 42:1; [M+NH4]+@9.50TG 42:1ME220089--9.5-
TG 42:2; [M+NH4]+@9.21TG 42:2ME220090--9.21-
TG 44:1; [M+NH4]+@9.78TG 44:1ME220091--9.78-
TG 44:2; [M+NH4]+@9.52TG 44:2ME220092--9.52-
TG 46:0; [M+NH4]+@10.30TG 46:0ME220093--10.3-
TG 46:1; [M+NH4]+@10.07TG 46:1ME220094--10.07-
TG 46:2; [M+NH4]+@9.81TG 46:2ME220095--9.81-
TG 46:3; [M+NH4]+@9.60TG 46:3ME220096--9.6-
TG 48:0; [M+NH4]+@10.54TG 48:0ME220097--10.54-
TG 48:1; [M+NH4]+@10.32TG 48:1ME220098--10.32-
TG 48:2; [M+NH4]+@10.10TG 48:2ME220099--10.1-
TG 48:3; [M+NH4]+@9.86TG 48:3ME220100--9.86-
TG 49:0; [M+NH4]+@10.66TG 49:0ME220101--10.66-
TG 49:1; [M+NH4]+@10.46TG 49:1ME220102--10.46-
TG 49:2; [M+NH4]+@10.24TG 49:2ME220103--10.24-
TG 49:3; [M+NH4]+@10.03TG 49:3ME220104--10.03-
TG 50:0; [M+NH4]+@10.78TG 50:0ME220105--10.78-
TG 50:1; [M+NH4]+@10.54TG 50:1ME220106--10.54-
TG 50:2; [M+NH4]+@10.33TG 50:2ME220107--10.33-
TG 50:3; [M+NH4]+@10.13TG 50:3ME220108--10.13-
TG 50:4; [M+NH4]+@9.91TG 50:4ME220109--9.91-
TG 50:5; [M+NH4]+@9.73TG 50:5ME220110--9.73-
TG 51:1; [M+NH4]+@10.69TG 51:1ME220111--10.69-
TG 51:2; [M+NH4]+@10.50TG 51:2ME220112--10.5-
TG 51:3; [M+NH4]+@10.30TG 51:3ME220113--10.3-
TG 51:4; [M+NH4]+@10.10TG 51:4ME220114--10.1-
TG 51:5; [M+NH4]+@9.88TG 51:5ME220115--9.88-
TG 51:6; [M+NH4]+@9.64TG 51:6ME220116--9.64-
TG 52:0; [M+NH4]+@11.03TG 52:0ME220117--11.03-
TG 52:1; [M+NH4]+@10.81TG 52:1ME220118--10.81-
TG 52:2; [M+NH4]+@10.58TG 52:2ME220119--10.58-
TG 52:3; [M+NH4]+@10.38TG 52:3ME220120--10.38-
TG 52:4; [M+NH4]+@10.18TG 52:4ME220121--10.18-
TG 52:5; [M+NH4]+@9.99TG 52:5ME220122--9.99-
TG 52:6; [M+NH4]+@9.82TG 52:6ME220123--9.82-
TG 52:7; [M+NH4]+@9.66TG 52:7ME220124--9.66-
TG 53:1; [M+NH4]+@10.92TG 53:1ME220125--10.92-
TG 53:2; [M+NH4]+@10.73TG 53:2ME220126--10.73-
TG 53:3; [M+NH4]+@10.52TG 53:3ME220127--10.52-
TG 53:4; [M+NH4]+@10.34TG 53:4ME220128--10.34-
TG 53:5; [M+NH4]+@10.16TG 53:5ME220129--10.16-
TG 53:6; [M+NH4]+@10.03TG 53:6ME220130--10.03-
TG 53:7; [M+NH4]+@9.76TG 53:7ME220131--9.76-
TG 54:0; [M+NH4]+@11.24TG 54:0ME220132--11.24-
TG 54:1; [M+NH4]+@11.04TG 54:1ME220133--11.04-
TG 54:2; [M+NH4]+@10.84TG 54:2ME220134--10.84-
TG 54:3; [M+NH4]+@10.66TG 54:3ME220135--10.66-
TG 54:4; [M+NH4]+@10.45TG 54:4ME220136--10.45-
TG 54:5; [M+NH4]+@10.23TG 54:5ME220137--10.23-
TG 54:6; [M+NH4]+@10.04TG 54:6ME220138--10.04-
TG 54:7; [M+NH4]+@9.88TG 54:7ME220139--9.88-
TG 54:8; [M+NH4]+@9.72TG 54:8ME220140--9.72-
TG 54:9; [M+NH4]+@9.56TG 54:9ME220141--9.56-
TG 55:2; [M+NH4]+@10.95TG 55:2ME220142--10.95-
TG 55:3; [M+NH4]+@10.76TG 55:3ME220143--10.76-
TG 55:4; [M+NH4]+@10.56TG 55:4ME220144--10.56-
TG 55:5; [M+NH4]+@10.47TG 55:5ME220145--10.47-
TG 55:6; [M+NH4]+@10.28TG 55:6ME220146--10.28-
TG 55:7; [M+NH4]+@10.10TG 55:7ME220147--10.1-
TG 55:8; [M+NH4]+@9.93TG 55:8ME220148--9.93-
TG 56:10; [M+NH4]+@9.66TG 56:10ME220150--9.66-
TG 56:1; [M+NH4]+@11.24TG 56:1ME220149--11.24-
TG 56:2; [M+NH4]+@11.05TG 56:2ME220151--11.05-
TG 56:3; [M+NH4]+@10.88TG 56:3ME220152--10.88-
TG 56:4; [M+NH4]+@10.71TG 56:4ME220153--10.71-
TG 56:5; [M+NH4]+@10.55TG 56:5ME220154--10.55-
TG 56:6; [M+NH4]+@10.39TG 56:6ME220155--10.39-
TG 56:7; [M+NH4]+@10.19TG 56:7ME220156--10.19-
TG 56:8; [M+NH4]+@10.00TG 56:8ME220157--10-
TG 56:9; [M+NH4]+@9.81TG 56:9ME220158--9.81-
TG 57:1; [M+NH4]+@11.40TG 57:1ME220159--11.4-
TG 57:2; [M+NH4]+@11.18TG 57:2ME220160--11.18-
TG 57:9; [M+NH4]+@10.02TG 57:9ME220161--10.02-
TG 58:10; [M+NH4]+@9.94TG 58:10ME220163--9.94-
TG 58:11; [M+NH4]+@9.77TG 58:11ME220164--9.77-
TG 58:1; [M+NH4]+@11.54TG 58:1ME220162--11.54-
TG 58:2; [M+NH4]+@11.30TG 58:2ME220165--11.3-
TG 58:3; [M+NH4]+@11.09TG 58:3ME220166--11.09-
TG 58:4; [M+NH4]+@10.93TG 58:4ME220167--10.93-
TG 58:5; [M+NH4]+@10.78TG 58:5ME220168--10.78-
TG 58:6; [M+NH4]+@10.59TG 58:6ME220169--10.59-
TG 58:7; [M+NH4]+@10.43TG 58:7ME220170--10.43-
TG 58:8; [M+NH4]+@10.30TG 58:8ME220171--10.3-
TG 58:9; [M+NH4]+@10.14TG 58:9ME220172--10.14-
TG 60:10; [M+NH4]+@10.18TG 60:10ME220173--10.18-
TG 60:11; [M+NH4]+@10.05TG 60:11ME220174--10.05-
TG 60:12; [M+NH4]+@9.90TG 60:12ME220175--9.9-
TG 60:13; [M+NH4]+@9.72TG 60:13ME220176--9.72-
TG 60:3; [M+NH4]+@11.29TG 60:3ME220177--11.29-
TG 60:4; [M+NH4]+@11.12TG 60:4ME220178--11.12-
TG 60:6; [M+NH4]+@10.81TG 60:6ME220179--10.81-
TG 60:7; [M+NH4]+@10.68TG 60:7ME220180--10.68-
TG 60:8; [M+NH4]+@10.52TG 60:8ME220181--10.52-
TG 60:9; [M+NH4]+@10.35TG 60:9ME220182--10.35-
TG 62:13; [M+NH4]+@9.93TG 62:13ME220183--9.93-
TG 62:14; [M+NH4]+@9.84TG 62:14ME220184--9.84-
TG 62:3; [M+NH4]+@11.55TG 62:3ME220185--11.55-
TG 62:4; [M+NH4]+@11.33TG 62:4ME220186--11.33-
TG 62:5; [M+NH4]+@11.15TG 62:5ME220187--11.15-


  logo