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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
16:0 LYSO PC (M+H)+LPC 16:0ME199433460602-22.261-
18:0 LYSO-PE (2M+H)+LPE 18:0ME1994349547068-22.712-
1-METHYLXANTHINE (M+H)+1-MethylxanthineME19943180220-2.505-
1-METHYLXANTHINE (M+NA)+1-MethylxanthineME19943280220-2.497-
24:0 SM (D18:1/24:0) (M+H)+SM 18:1;O2/24:0ME19943744260127-27.802-
24:0 SM (D18:1/24:0) (M+NA)+SM(d18:1/24:0)ME19943844260127-27.803-
2-AMINOBUTANOIC ACID (M+H)+2-Aminobutyric acidME19943621889526-0.703-
2'-DEOXYGUANOSINE (M+H)+DeoxyguanosineME199435187790-1.811-
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]3-Amino-isobutanoic acidME19943964956-1.831-
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME1994409307-2.037-
4-PYRIDOXIC ACID (M+NA)+4-Pyridoxic acidME1994416723-1.873-
5-AMINOPENTANOIC ACID (M+H)+5-Aminopentanoic acidME199442138-0.741-
ACETAMINOPHEN (TN TYLENOL) (M+H)+AcetaminophenME1994431983-3.1-
ACETAMINOPHEN (TN TYLENOL) (M+NA)+AcetaminophenME1994441983-3.101-
ALPHA-LINOLENIC ACID (M+NA)+alpha-Linolenic acidME1994455280934-22.878-
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME19944614985-24.506-
BILIVERDIN (M+H)+BiliverdinME1994475280353-18.645-
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME1994488343-23.12-
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME199449213144-2.953-
CARNITINE (M+H)+CarnitineME19945010917-0.689-
CHOLIC ACID (2M+NA)+Cholic acidME199451221493-20.334-
CHOLINE M+CholineME199452305-0.673-
CITRIC ACID (M+NA)+Citric acidME199453311-1.044-
DECANOYLCARNITINE (*) (M+H)+CAR 10:0ME19945411953821-15.031-
DECENOYLCARNITINE (*) (M+H)+CAR 10:1ME19945557357170-13.863-
DEHYDROEPIANDROSTERONE (M+NA)+DehydroepiandrosteroneME1994565881-17.328-
DEHYDROEPIANDROSTERONE SULFATE M+[-HSO4]Dehydroepiandrosterone sulfateME19945712594-14.991-
DESMOSTEROL (M+H)+[-H2O]DesmosterolME199458439577-24.209-
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]DG 16:0_16:0ME199459644078-26.148-
DODECENOYLCARNITINE (*) II M+CAR 12:1ME19946053481671-16.692-
EDTA (M+NA)+Edetic acidME1994616049-1.041-
EICOSANOYLCARNITINE (*) (M+H)+CAR 20:0ME19946253477833-22.172-
EPINEPHRINE (M+H)+EpinephrineME1994635816-0.673-
EPINEPHRINE (M+H)+[-H2O]EpinephrineME1994645816-0.716-
GLUCOSE (2M+NA)+GlucoseME1994655793-0.679-
GLUCOSE (M+NA)+GlucoseME1994665793-0.724-
GLUTAMINE (M+NA)+GlutamineME1994675961-0.682-
GLYCEROL MYRISTATE (M+H)+[-H2O]MG 14:0ME19946879050-22.095-
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]Glycochenodeoxycholic acidME1994699548796-20.274-
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+Glycochenodeoxycholic acidME1994709548796-20.274-
GLYCOCHOLIC ACID (M+H)+Glycocholic acidME19947110140-18.861-
GLYCOCHOLIC ACID (M+H)+[-H2O]Glycocholic acidME19947210140-18.864-
GLYCOCHOLIC ACID (M+NA)+Glycocholic acidME19947310140-18.863-
GUANOSINE (M+H)+GuanosineME1994746802-1.856-
HEXANOYLCARNITINE (*) M+CAR 6:0ME1994753246939-7.091-
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]-ME19947610444113-13-
INDOLE-3-ACETALDEHYDE (M+H)+IndoleacetaldehydeME199477800-1.765-
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME199478168379-2.835-
ISOLEUCINE (M+H)+IsoleucineME1994796306-1.54-
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME199480169235-4.62-
KYNURENIC ACID (M+H)+Kynurenic acidME1994813845-4.934-
LEUCINE (M+H)+LeucineME1994826106-1.58-
LYSINE (M+H)+LysineME1994835962-0.568-
LYSINE (M+NA)+LysineME1994845962-0.592-
METHYL JASMONATE (M+NA)+Methyl jasmonateME1994855281929-15.987-
N-ACETYL-D-GLUCOSAMINE (M+NA)+N-Acetyl-D-glucosamineME199486446101-0.712-
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME19948865249-0.825-
N-ACETYL-D-TRYPTOPHAN (M+NA)+N-Acetyl-D-tryptophanME199487439917-7.964-
NAD (M+H)+NAD+ME1994905893-1.041-
NAPROXEN (M+H)+NaproxenME199491156391-15.774-
NAPROXEN (M+NA)+NaproxenME199492156391-15.775-
N-METHYL-GLUTAMIC ACID (M+NA)+N-Methyl-glutamic acidME199489439377-1.896-
OCTENOYLCARNITINE (*) M+CAR 8:1ME19949371464472-9.535-
OLEAMIDE (M+H)+OleamideME1994945283387-22.635-
OLEOYL-GLYCEROL (M+H)+MG 18:1ME1994955319879-22.725-
OMEPRAZOLE (M+H)+OmeprazoleME1994964594-11.178-
OMEPRAZOLE SULFONE (2M+NA)+Omeprazole sulfoneME199497145900-12.364-
OMEPRAZOLE SULFONE (M+H)+Omeprazole sulfoneME199498145900-12.368-
ORNITHINE (M+H)+OrnithineME1994996262-0.571-
PANTOTHENIC ACID (M+NA)+Pantothenic acidME1995006613-3.247-
PHENYLALANINE (M+H)+PhenylalanineME1995016140-2.378-
PIPECOLIC ACID (M+H)+Pipecolic acidME199502849-0.98-
PROGESTERONE (M+H)+ProgesteroneME1995035994-19.504-
PROLINE (M+H)+ProlineME199504145742-0.714-
PROSTAGLANDIN E2 (M+H)+PGE2ME1995055280360-16.756-
RIBOFLAVIN (M+NA)+RiboflavinME199506493570-7.641-
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+S-AdenosylhomocysteineME199507439155-1.558-
SUCROSE (M+NA)+SucroseME1995085988-0.708-
TAUROCHOLIC ACID (M+NA)+Taurocholic acidME1995096675-18.122-
THEOBROMINE (M+H)+TheobromineME1995105429-3.517-
THEOBROMINE (M+NA)+TheobromineME1995115429-3.473-
THEOPHYLLINE (M+H)+TheophyllineME1995122153-4.455-
THEOPHYLLINE (M+NA)+TheophyllineME1995132153-4.457-
TRYPTOPHAN (M+NA)+TryptophanME1995146305-3.616-
TYROSINE (M+H)+TyrosineME1995156057-1.36-
TYROSINE (M+NA)+TyrosineME1995166057-1.362-
URIC ACID (M+H)+Uric acidME1995171175-1.063-
URIDINE (M+NA)+UridineME1995186029-1.369-


Analysis: Reversed phase 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 LYSO PC (M+CL)-LPC(16:0)ME199522460602-22.314-
18:0 LYSO-PE (M-H)-LPE 18:0ME1995239547068-22.72-
1-METHYLADENOSINE (M+CL)-1-MethyladenosineME19951927476-3.025-
1-METHYLURIC ACID (M-H)-1-Methyluric acidME19952069726-2.236-
1-METHYLXANTHINE (M-H)-1-MethylxanthineME19952180220-2.552-
3-METHYLXANTHINE (M-H)-3-MethylxanthineME19952470639-2.475-
4-NITROPHENOL (M-H)-4-NitrophenolME199525980-7.054-
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME1995266723-1.879-
5'-METHYLTHIOADENOSINE (M+CL)-5'-MethylthioadenosineME199527439176-4.507-
5-VALEROLACTONE (M+HCOO)-5-ValerolactoneME19952810953-1.648-
ARACHIDIC ACID (M-H)-Arachidic acidME19952910467-23.602-
ARACHIDONIC ACID (M-H)-Arachidonic acidME199530444899-22.727-
BEHENIC ACID (M-H)-Behenic acidME1995318215-24.095-
BILIVERDIN (M-H)-BiliverdinME1995325280353-18.649-
CIS-VACCENIC ACID (M-H)-cis-Vaccenic acidME1995335282761-22.944-
CITRAMALIC ACID (M-H)-Citramalic acidME199534441696-1.396-
CITRIC ACID (M-H)-Citric acidME199535311-1.027-
CORTICOSTERONE (M+CL)-CorticosteroneME1995365753-15.422-
CORTICOSTERONE (M+HCOO)-CorticosteroneME1995375753-15.426-
CORTISOL (M+CL)-CortisolME1995385754-13.815-
CORTISOL (M+HCOO)-CortisolME1995395754-13.814-
CORTISONE (M+CL)-CortisoneME199540222786-13.397-
DEOXYADENOSINE (M+CL)-DeoxyadenosineME19954113730-1.796-
DEOXYCHOLIC ACID (2M-H)-Deoxycholic acidME199542222528-21.636-
DEOXYCHOLIC ACID (M+CL)-Deoxycholic acidME199543222528-21.699-
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME199544222528-21.693-
EPIBRASSINOLIDE [ISTD] (M+CL)--ME199545115196-19.823-
EPIBRASSINOLIDE [ISTD] (M+HCOO)--ME199546115196-19.822-
ERUCIC ACID (M-H)-cis-Erucic acidME1995475281116-23.671-
GLUCOSE (M+CL)-GlucoseME1995485793-0.699-
HEPTADECANOIC ACID (M-H)-Margaric acidME19954910465-23.023-
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME1995505283820-22.864-
HYPOXANTHINE (M-H)-HypoxanthineME199551790-1.104-
IBUPROFEN (M-H)-IbuprofenME199552114864-18.894-
ISOLEUCINE (M-H)-IsoleucineME1995536306-1.533-
KYNURENIC ACID (M-H)-Kynurenic acidME1995543845-4.939-
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME199556227-5.345-
LIGNOCERIC ACID (M-H)-Lignoceric acidME19955711197-24.767-
L-TRYPTOPHAN-15N2 [ISTD] (M-H)--ME19955516217285-3.633-
MANDELIC ACID (M-H)-Mandelic acidME19955811914-5.596-
MEVALONIC ACID (M-H)-Mevalonic acidME199559439230-1.563-
N-ACETYL-DL-METHIONINE (M-H)-N-AcetylmethionineME199560448580-4.04-
OMEPRAZOLE SULFONE (M-H)-Omeprazole sulfoneME199561145900-12.361-
PHYTANIC ACID (M-H)-Phytanic acidME19956210380830-23.277-
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-S-AdenosylhomocysteineME199563439155-1.447-
THEOPHYLLINE (M-H)-TheophyllineME1995642153-4.457-
URACIL 5-CARBOXYLIC ACID (M-H)-Uracil-5-carboxylic acidME1995656971263-1.304-
URIC ACID (M-H)-Uric acidME1995661175-0.993-
URIDINE (M+CL)-UridineME1995676029-1.363-
URSODIOL (M-H)-Ursodeoxycholic acidME19956831401-21.658-


Analysis: C18 NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Arachidonic acidArachidonic acidME199569444899---
CerP 34:1; [M-H]-@5.83CerP 34:1;O2ME199575--5.83-
CL 66:1; [M-2H](2-)@6.23CL 66:1ME199570--6.23-
CL 74:1; [M-2H](2-)@6.79CL 74:1ME199571--6.79-
CL 76:3; [M-2H](2-)@7.08CL 76:3ME199572--7.08-
CL 78:1; [M-2H](2-)@7.90CL 78:1ME199573--7.9-
CL 82:15; [M-2H](2-)@5.89CL 82:15ME199574--5.89-
FFA(16:0)Palmitic acidME199576----
FFA(18:0)Stearic acidME1995775281---
FFA(18:1)Oleic acidME199578----
FFA(18:2)Octadecadienoic acidME199579----
FFA(20:0)Arachidic acidME19958010467---
FFA(20:1)Heneicosenoic acidME199581----
FFA(20:2)Eicosadienoic acidME199582----
FFA(22:0)Behenic acidME1995838215---
FFA(22:1)Docosenoic acidME199584----
FFA(22:2)Docosadienoic acidME199585----
FFA(22:3)Docosatrienoic acidME199586----
FFA(24:0)Lignoceric acidME19958711197---
FFA(24:1)Tetracosenoic acidME199588----
FFA(24:2)Tetracosadienoic acidME199589----
FFA(24:3)Tetracosatrienoic acidME19959052921854---
lysoPE 18:2; [M-H]-@1.36LPE 18:2ME199655--1.36-
lysoPE 20:3; [M-H]-@1.64LPE 20:3ME199656--1.64-
lysoPE 22:6; [M-H]-@1.29LPE 22:6ME199657--1.29-
PC 30:0; [M-Ac-H]-@5.96PC 30:0ME199591--5.96-
PC 30:1; [M-Ac-H]-@5.41PC 30:1ME199592--5.41-
PC 32:0; [M-Ac-H]-@6.61PC 32:0ME199593--6.61-
PC 32:1; [M-Ac-H]-@6.06PC 32:1ME199594--6.06-
PC 32:2; [M-Ac-H]-@5.62PC 32:2ME199595--5.62-
PC 32:3; [M-Ac-H]-@5.15PC 32:3ME199596--5.15-
PC 33:0; [M-Ac-H]-@6.81PC 33:0ME199597--6.81-
PC 33:1; [M-Ac-H]-@6.43PC 33:1ME199598--6.43-
PC 33:2; [M-Ac-H]-@5.96PC 33:2ME199599--5.96-
PC 34:2; [M-Ac-H]-@6.21PC 34:2ME199600--6.21-
PC 34:3; [M-Ac-H]-@5.80PC 34:3ME199601--5.8-
PC 35:1; [M-Ac-H]-@7.03PC 35:1ME199602--7.03-
PC 35:2; [M-Ac-H]-@6.56PC 35:2ME199603--6.56-
PC 35:3; [M-Ac-H]-@6.08PC 35:3ME199604--6.08-
PC 35:4; [M-Ac-H]-@5.93PC 35:4ME199605--5.93-
PC 36:1; [M-Ac-H]-@7.30PC 36:1ME199606--7.3-
PC 36:4; [M-Ac-H]-@6.06PC 36:4ME199607--6.06-
PC 36:5; [M-Ac-H]-@5.71PC 36:5ME199608--5.71-
PC 36:6; [M-Ac-H]-@5.46PC 36:6ME199609--5.46-
PC 37:2; [M-Ac-H]-@7.22PC 37:2ME199610--7.22-
PC 37:3; [M-Ac-H]-@6.71PC 37:3ME199611--6.71-
PC 37:6; [M-Ac-H]-@5.80PC 37:6ME199612--5.8-
PC 38:2; [M-Ac-H]-@7.45PC 38:2ME199613--7.45-
PC 38:3; [M-Ac-H]-@7.08PC 38:3ME199614--7.08-
PC 38:5; [M-Ac-H]-@6.38PC 38:5ME199615--6.38-
PC 40:4; [M-Ac-H]-@7.32PC 40:4ME199616--7.32-
PC 40:5; [M-Ac-H]-@7.01PC 40:5ME199617--7.01-
PC 40:6; [M-Ac-H]-@6.72PC 40:6ME199618--6.72-
PC 40:7; [M-Ac-H]-@6.23PC 40:7ME199619--6.23-
PE 30:0; [M-H]-@6.07PE 30:0ME199620--6.07-
PE 32:1; [M-H]-@6.22PE 32:1ME199621--6.22-
PE 33:2; [M-H]-@6.07PE 33:2ME199622--6.07-
PE 35:1; [M-H]-@7.10PE 35:1ME199623--7.1-
PE 35:2; [M-H]-@6.68PE 35:2ME199624--6.68-
PE 35:4; [M-H]-@6.04PE 35:4ME199625--6.04-
PE 36:0; [M-H]-@7.84PE 36:0ME199626--7.84-
PE 36:5; [M-H]-@6.00PE 36:5ME199627--6-
PE 37:4; [M-H]-@6.66PE 37:4ME199628--6.66-
PE 37:6; [M-H]-@5.90PE 37:6ME199629--5.9-
PE 38:1; [M-H]-@7.92PE 38:1ME199630--7.92-
PE 38:2; [M-H]-@6.88PE 38:2ME199631--6.88-
PE 40:4; [M-H]-@7.42PE 40:4ME199632--7.42-
PE 40:7; [M-H]-@6.39PE 40:7ME199633--6.39-
PE 40:8; [M-H]-@5.95PE 40:8ME199634--5.95-
PE 42:9; [M-H]-@6.04PE 42:9ME199635--6.04-
PG 33:0; [M-H]-@6.05PG 33:0ME199636--6.05-
PG 36:0; [M-H]-@6.87PG 36:0ME199637--6.87-
PG 36:2; [M-H]-@6.07PG 36:2ME199638--6.07-
PG 36:3; [M-H]-@5.28PG 36:3ME199639--5.28-
PG 38:4; [M-H]-@6.06PG 38:4ME199640--6.06-
PI 34:1; [M-H]-@5.68PI 34:1ME199641--5.68-
PI 34:2; [M-H]-@5.24PI 34:2ME199642--5.24-
PI 36:1; [M-H]-@6.31PI 36:1ME199643--6.31-
PI 36:2; [M-H]-@5.89PI 36:2ME199644--5.89-
PI 36:3; [M-H]-@5.46PI 36:3ME199645--5.46-
PI 36:4; [M-H]-@5.22PI 36:4ME199646--5.22-
PI 37:4; [M-H]-@5.57PI 37:4ME199647--5.57-
PI 38:3; [M-H]-@6.07PI 38:3ME199648--6.07-
PI 38:4; [M-H]-@5.87PI 38:4ME199649--5.87-
PI 38:5; [M-H]-@5.35PI 38:5ME199650--5.35-
PI 40:5; [M-H]-@5.96PI 40:5ME199651--5.96-
PI 40:6; [M-H]-@5.79PI 40:6ME199652--5.79-
plasmenyl-PE 34:1; [M-H]-@7.17PE P-34:1 or PE O-34:2ME199658--7.17-
plasmenyl-PE 34:2; [M-H]-@6.71PE P-34:2 or PE O-34:3ME199659--6.71-
plasmenyl-PE 36:1; [M-H]-@7.72PE P-36:1 or PE O-36:2ME199660--7.72-
plasmenyl-PE 36:2; [M-H]-@7.31PE P-36:2 or PE O-36:3ME199661--7.31-
plasmenyl-PE 36:3; [M-H]-@6.87PE P-36:3 or PE O-36:4ME199662--6.87-
plasmenyl-PE 36:5; [M-H]-@6.30PE P-36:5 or PE O-36:6ME199663--6.3-
plasmenyl-PE 38:1; [M-H]-@8.23PE P-38:1 or PE O-38:2ME199664--8.23-
plasmenyl-PE 38:2; [M-H]-@7.87PE P-38:2 or PE O-38:3ME199665--7.87-
plasmenyl-PE 38:3; [M-H]-@7.55PE P-38:3 or PE O-38:4ME199666--7.55-
plasmenyl-PE 38:4; [M-H]-@7.21PE P-38:4 or PE O-38:5ME199667--7.21-
plasmenyl-PE 40:4; [M-H]-@7.75PE P-40:4 or PE O-40:5ME199668--7.75-
plasmenyl-PE 40:5; [M-H]-@7.35PE P-40:5 or PE O-40:6ME199669--7.35-
plasmenyl-PE 40:6; [M-H]-@7.19PE P-40:6 or PE O-40:7ME199670--7.19-
plasmenyl-PE 42:4; [M-H]-@8.21PE P-42:4 or PE O-42:5ME199671--8.21-
plasmenyl-PE 42:5; [M-H]-@7.86PE P-42:5 or PE O-42:6ME199672--7.86-
plasmenyl-PE 42:6; [M-H]-@7.75PE P-42:6 or PE O-42:7ME199673--7.75-
PS 36:1; [M-H]-@6.40PS 36:1ME199653--6.4-
PS 38:4; [M-H]-@5.98PS 38:4ME199654--5.98-


Analysis: 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]+@10.99CE 16:0ME199674246520-10.99-
CE(16:1); [M+NH4]+@10.71CE 16:1ME199675--10.71-
CE(18:0); [M+NH4]+@11.41CE 18:0ME199676118246-11.41-
CE(18:1); [M+NH4]+@10.95CE 18:1ME1996775283632-10.95-
CE(18:2); [M+NH4]+@10.79CE 18:2ME1996785287939-10.79-
CE(18:3); [M+NH4]+@10.52CE 18:3ME1996806436907-10.52-
CE(18:3); [M+NH4]+@9.30CE 18:3ME1996796436907-10.52-
CE(20:1); [M+NH4]+@11.34CE 20:1ME19968116061337-11.34-
CE(20:2); [M+NH4]+@11.10CE 20:2ME19968216061338-11.1-
CE(20:3); [M+NH4]+@10.80CE 20:3ME19968314274976-10.8-
CE(20:4); [M+NH4]+@10.61CE 20:4ME1996846479222-10.61-
CE(20:5); [M+NH4]+@10.46CE 20:5ME19968510372299-10.46-
CE(22:4); [M+NH4]+@10.91CE 22:4ME19968616061341-10.91-
CE(22:6); [M+NH4]+@10.53CE 22:6ME19968714274978-10.53-
DG 30:0; [M+NH4]+@7.38DG 30:0ME199688--7.38-
DG 31:0; [M+NH4]+@7.61DG 31:0ME199689--7.61-
DG 32:0; [M+NH4]+@7.93DG 32:0ME199690--7.93-
DG 32:1; [M+NH4]+@7.51DG 32:1ME199691--7.51-
DG 32:2; [M+NH4]+@7.07DG 32:2ME199692--7.07-
DG 34:0; [M+NH4]+@8.41DG 34:0ME199693--8.41-
DG 34:2; [M+NH4]+@7.56DG 34:2ME199694--7.56-
DG 34:3; [M+NH4]+@7.18DG 34:3ME199695--7.18-
DG 35:1; [M+NH4]+@8.28DG 35:1ME199696--8.28-
DG 35:2; [M+NH4]+@7.87DG 35:2ME199697--7.87-
DG 36:0; [M+NH4]+@8.87DG 36:0ME199698--8.87-
DG 36:1; [M+NH4]+@8.40DG 36:1ME199699--8.4-
DG 36:2; [M+NH4]+@7.98DG 36:2ME199700--7.98-
DG 36:3; [M+NH4]+@7.66DG 36:3ME199701--7.66-
DG 36:4; [M+NH4]+@7.40DG 36:4ME199702--7.4-
DG 36:5; [M+NH4]+@6.96DG 36:5ME199703--6.96-
DG 38:2; [M+NH4]+@8.55DG 38:2ME199704--8.55-
DG 38:3; [M+NH4]+@8.21DG 38:3ME199705--8.21-
DG 38:4; [M+NH4]+@7.84DG 38:4ME199706--7.84-
DG 38:5; [M+NH4]+@7.61DG 38:5ME199707--7.61-
DG 38:6; [M+NH4]+@7.24DG 38:6ME199708--7.24-
DG 40:5; [M+NH4]+@8.07DG 40:5ME199709--8.07-
DG 40:6; [M+NH4]+@7.77DG 40:6ME199710--7.77-
DG 40:7; [M+NH4]+@7.55DG 40:7ME199711--7.55-
lysoPC 14:0; [M+H]+@1.01LPC 14:0ME199865--1.01-
lysoPC 15:0; [M+H]+@1.23LPC 15:0ME19986624779458-1.23-
lysoPC 16:0; [M+H]+@1.54LPC 16:0ME199867--1.54-
lysoPC 16:1; [M+H]+@1.25LPC 16:1ME199868--1.25-
lysoPC 17:1; [M+H]+@1.43LPC 17:1ME199869--1.43-
lysoPC 18:0; [M+Na]+@2.15LPC 18:0ME199870--2.15-
lysoPC 18:2; [M+H]+@1.47LPC 18:2ME199871--1.47-
lysoPC 18:3; [M+H]+@1.06LPC 18:3ME199872--1.06-
lysoPC 19:0; [M+H]+@2.85LPC 19:0ME19987324779472-2.85-
lysoPC 20:0; [M+H]+@3.29LPC 20:0ME19987424779473-3.29-
lysoPC 20:1; [M+H]+@2.51LPC 20:1ME199875--2.51-
lysoPC 20:3; [M+H]+@1.50LPC 20:3ME199876--1.5-
lysoPC 20:4; [M+H]+@1.39LPC 20:4ME199877--1.39-
lysoPC 20:5; [M+H]+@1.04LPC 20:5ME19987811757087-1.04-
lysoPC 22:0; [M+H]+@4.21LPC 22:0ME19987924779479-4.21-
lysoPC 22:1; [M+H]+@3.38LPC 22:1ME199880--3.38-
lysoPC 22:4; [M+H]+@1.77LPC 22:4ME19988152924039-1.77-
lysoPC 22:5; [M+H]+@1.35LPC 22:5ME199882--1.35-
lysoPC 22:6; [M+H]+@1.18LPC 22:6ME19988310415542-1.18-
lysoPC 24:0; [M+H]+@5.12LPC 24:0ME19988424779481-5.12-
lysoPE 16:0; [M+H]+@1.65LPE 16:0ME199885--1.65-
lysoPE 18:0; [M+H]+@2.48LPE 18:0ME199886--2.48-
lysoPE 18:1; [M+H]+@1.81LPE 18:1ME199887--1.81-
lysoPE 20:4; [M+H]+@1.30LPE 20:4ME199888--1.3-
lysoPE 22:5; [M+H]+@1.42LPE 22:5ME199889--1.42-
MG 17:0; [M+Li]+@3.14MG 17:0ME199712107036-3.14-
PC 28:0; [M+Na]+@5.22PC 28:0ME199713--5.22-
PC 30:0; [M+Na]+@5.96PC 30:0ME199714--5.96-
PC 31:0; [M+Na]+@5.48PC 31:0ME199715--5.48-
PC 31:1; [M+Na]+@5.29PC 31:1ME199716--5.29-
PC 33:2; [M+Na]+@5.96PC 33:2ME199717--5.96-
PC 33:3; [M+H]+@5.61PC 33:3ME199718--5.61-
PC 34:1; [M+H]+@6.64PC 34:1ME199719--6.64-
PC 34:4; [M+H]+@6.06PC 34:4ME199720--6.06-
PC 35:5; [M+H]+@5.48PC 35:5ME199721--5.48-
PC 36:2; [M+H]+@6.84PC 36:2ME199722--6.84-
PC 36:3; [M+H]+@6.45PC 36:3ME199723--6.45-
PC 36:7; [M+H]+@5.49PC 36:7ME199724--5.49-
PC 37:4; [M+H]+@7.41PC 37:4ME199725--7.41-
PC 38:4; [M+H]+@6.81PC 38:4ME199726--6.81-
PC 38:6; [M+H]+@6.08PC 38:6ME199727--6.08-
PC 38:7; [M+H]+@5.80PC 38:7ME199728--5.8-
PC 38:9; [M+H]+@5.39PC 38:9ME199729--5.39-
PC 40:8; [M+H]+@5.64PC 40:8ME199730--5.64-
PC 42:10; [M+H]+@5.72PC 42:10ME199731--5.72-
PC 42:9; [M+H]+@6.10PC 42:9ME199732--6.1-
PC 44:4; [M+H]+@8.54PC 44:4ME199733--8.54-
PE 34:1; [M+H]+@6.83PE 34:1ME199734--6.83-
PE 34:2; [M+H]+@6.37PE 34:2ME199735--6.37-
PE 34:3; [M+H]+@6.03PE 34:3ME199736--6.03-
PE 36:1; [M+H]+@7.42PE 36:1ME199737--7.42-
PE 36:2; [M+H]+@7.03PE 36:2ME199738--7.03-
PE 36:3; [M+H]+@6.53PE 36:3ME199739--6.53-
PE 36:4; [M+H]+@6.36PE 36:4ME199740--6.36-
PE 38:3; [M+H]+@7.20PE 38:3ME199741--7.2-
PE 38:4; [M+H]+@6.96PE 38:4ME199742--6.96-
PE 38:5; [M+H]+@6.45PE 38:5ME199743--6.45-
PE 38:6; [M+H]+@6.19PE 38:6ME199744--6.19-
PE 40:5; [M+H]+@7.05PE 40:5ME199745--7.05-
PE 40:6; [M+H]+@6.90PE 40:6ME199746--6.9-
PE 40:7; [M+H]+@6.40PE 40:7ME199747--6.4-
plasmenyl-PC 18:0; [M+Na]+@1.81LPC P-18:0 or LPC O-18:1ME199890--1.81-
plasmenyl-PC 36:4; [M+Na]+@6.54PC P-36:4 or PC O-36:5ME199891--6.54-
plasmenyl-PC 40:0; [M+Na]+@8.37PC P-40:0 or PC O-40:1ME199892--8.37-
plasmenyl-PC 40:3; [M+Na]+@7.59PC P-40:3 or PC O-40:4ME199893--7.59-
plasmenyl-PC 42:4; [M+Na]+@7.86PC P-42:4 or PC O-42:5ME199894--7.86-
plasmenyl-PC 44:4; [M+Na]+@8.43PC P-44:4 or PC O-44:5ME199895--8.43-
plasmenyl-PE 36:4; [M+H]+@6.64PE P-36:4 or PE O-36:5ME199896--6.64-
plasmenyl-PE 38:5; [M+H]+@6.99PE P-38:5 or PE O-38:6ME199897--6.99-
plasmenyl-PE 38:6; [M+H]+@6.57PE P-38:6 or PE O-38:7ME199898--6.57-
SM 30:1; [M+Na]+@4.31SM 30:1;O2ME199748--4.31-
SM 32:0; [M+Na]+@5.34SM 32:0;O2ME19974944260138-5.34-
SM 32:1; [M]+@5.35SM 32:1;O2ME19975011433862-5.35-
SM 32:2; [M+Na]+@4.51SM 32:2;O2ME199751--4.51-
SM 33:1; [M+Na]+@5.46SM 33:1;O2ME19975252931139-5.46-
SM 33:2; [M]+@4.95SM 33:2;O2ME199753--4.95-
SM 34:0; [M+Na]+@6.07SM 34:0;O2ME1997549939965-6.07-
SM 34:1; [M+Na]+@5.78SM 34:1;O2ME199755--5.78-
SM 34:2; [M+Na]+@5.24SM 34:2;O2ME199756--5.24-
SM 35:0; [M]+@6.17SM 35:0;O2ME199757--6.17-
SM 35:2; [M+Na]+@5.67SM 35:2;O2ME199758--5.67-
SM 36:1; [M+Na]+@6.53SM 36:1;O2ME19975944260139-6.53-
SM 36:2; [M+Na]+@6.02SM 36:2;O2ME199760--6.02-
SM 37:2; [M]+@6.38SM 37:2;O2ME199761--6.38-
SM 38:1; [M+Na]+@7.17SM 38:1;O2ME199762--7.17-
SM 38:4; [M]+@5.74SM 38:4;O2ME199763--5.74-
SM 39:1; [M+Na]+@7.55SM 39:1;O2ME199764--7.55-
SM 40:1; [M+Na]+@7.69SM 40:1;O2ME199765--7.69-
SM 40:2; [M+Na]+@7.22SM 40:2;O2ME199766--7.22-
SM 41:1; [M+Na]+@8.01SM 41:1;O2ME199767--8.01-
SM 41:2; [M+Na]+@7.57SM 41:2;O2ME199768--7.57-
SM 42:0; [M+Na]+@7.87SM 42:0;O2ME19976944260134-7.87-
SM 42:1; [M+Na]+@8.24SM 42:1;O2ME19977044260133-8.24-
SM 42:2; [M+Na]+@7.75SM 42:2;O2ME199771--7.75-
SM 42:4; [M]+@6.84SM 42:4;O2ME199772--6.84-
SM 42:5; [M]+@6.53SM 42:5;O2ME199773--6.53-
SM 43:1; [M+Na]+@8.45SM 43:1;O2ME199774--8.45-
SM 44:1; [M]+@8.74SM 44:1;O2ME199775--8.74-
SM 44:2; [M]+@8.24SM 44:2;O2ME199776--8.24-
TG 40:0; [M+NH4]+@9.52TG 40:0ME199777--9.52-
TG 40:1; [M+NH4]+@9.21TG 40:1ME199778--9.21-
TG 42:0; [M+NH4]+@9.80TG 42:0ME199779--9.8-
TG 42:1; [M+NH4]+@9.57TG 42:1ME199780--9.57-
TG 44:1; [M+NH4]+@9.82TG 44:1ME199781--9.82-
TG 44:2; [M+NH4]+@9.59TG 44:2ME199782--9.59-
TG 46:0; [M+NH4]+@10.30TG 46:0ME199783--10.3-
TG 46:1; [M+NH4]+@10.09TG 46:1ME199784--10.09-
TG 46:2; [M+NH4]+@9.84TG 46:2ME199785--9.84-
TG 46:3; [M+NH4]+@9.63TG 46:3ME199786--9.63-
TG 48:0; [M+NH4]+@10.57TG 48:0ME199787--10.57-
TG 48:1; [M+NH4]+@10.33TG 48:1ME199788--10.33-
TG 48:2; [M+NH4]+@10.12TG 48:2ME199789--10.12-
TG 48:3; [M+NH4]+@9.89TG 48:3ME199790--9.89-
TG 49:0; [M+NH4]+@10.70TG 49:0ME199791--10.7-
TG 49:1; [M+NH4]+@10.50TG 49:1ME199792--10.5-
TG 49:2; [M+NH4]+@10.31TG 49:2ME199793--10.31-
TG 49:3; [M+NH4]+@10.08TG 49:3ME199794--10.08-
TG 50:0; [M+NH4]+@10.84TG 50:0ME199795--10.84-
TG 50:1; [M+NH4]+@10.56TG 50:1ME199796--10.56-
TG 50:2; [M+Na]+@10.23TG 50:2ME199798--10.23-
TG 50:2; [M+NH4]+@10.35TG 50:2ME199797--10.35-
TG 50:3; [M+NH4]+@10.14TG 50:3ME199799--10.14-
TG 50:4; [M+NH4]+@9.94TG 50:4ME199800--9.94-
TG 50:5; [M+NH4]+@9.76TG 50:5ME199801--9.76-
TG 51:1; [M+NH4]+@10.73TG 51:1ME199802--10.73-
TG 51:2; [M+NH4]+@10.55TG 51:2ME199803--10.55-
TG 51:3; [M+NH4]+@10.35TG 51:3ME199804--10.35-
TG 51:4; [M+NH4]+@10.16TG 51:4ME199805--10.16-
TG 51:5; [M+NH4]+@9.94TG 51:5ME199806--9.94-
TG 52:0; [M+NH4]+@11.07TG 52:0ME199807--11.07-
TG 52:1; [M+NH4]+@10.84TG 52:1ME199808--10.84-
TG 52:2; [M+NH4]+@10.59TG 52:2ME199809--10.59-
TG 52:3; [M+NH4]+@10.41TG 52:3ME199810--10.41-
TG 52:4; [M+NH4]+@10.22TG 52:4ME199811--10.22-
TG 52:5; [M+NH4]+@10.04TG 52:5ME199812--10.04-
TG 52:6; [M+NH4]+@9.83TG 52:6ME199813--9.83-
TG 52:7; [M+NH4]+@9.67TG 52:7ME199814--9.67-
TG 53:0; [M+NH4]+@11.20TG 53:0ME199815--11.2-
TG 53:1; [M+NH4]+@10.96TG 53:1ME199816--10.96-
TG 53:2; [M+NH4]+@10.77TG 53:2ME199817--10.77-
TG 53:3; [M+NH4]+@10.57TG 53:3ME199818--10.57-
TG 53:4; [M+NH4]+@10.37TG 53:4ME199819--10.37-
TG 53:5; [M+NH4]+@10.20TG 53:5ME199820--10.2-
TG 54:0; [M+NH4]+@11.32TG 54:0ME199821--11.32-
TG 54:1; [M+NH4]+@11.09TG 54:1ME199822--11.09-
TG 54:2; [M+NH4]+@10.88TG 54:2ME199823--10.88-
TG 54:3; [M+NH4]+@10.67TG 54:3ME199824--10.67-
TG 54:4; [M+NH4]+@10.47TG 54:4ME199825--10.47-
TG 54:5; [M+NH4]+@10.26TG 54:5ME199826--10.26-
TG 54:6; [M+NH4]+@10.10TG 54:6ME199827--10.1-
TG 54:7; [M+NH4]+@9.91TG 54:7ME199828--9.91-
TG 54:8; [M+NH4]+@9.76TG 54:8ME199829--9.76-
TG 55:0; [M+NH4]+@11.42TG 55:0ME199830--11.42-
TG 55:1; [M+NH4]+@11.20TG 55:1ME199831--11.2-
TG 55:3; [M+NH4]+@10.80TG 55:3ME199832--10.8-
TG 55:6; [M+NH4]+@10.32TG 55:6ME199833--10.32-
TG 55:8; [M+NH4]+@9.98TG 55:8ME199834--9.98-
TG 56:0; [M+NH4]+@11.60TG 56:0ME199835--11.6-
TG 56:10; [M+NH4]+@9.71TG 56:10ME199837--9.71-
TG 56:1; [M+NH4]+@11.36TG 56:1ME199836--11.36-
TG 56:2; [M+NH4]+@11.12TG 56:2ME199838--11.12-
TG 56:3; [M+NH4]+@10.92TG 56:3ME199839--10.92-
TG 56:4; [M+NH4]+@10.74TG 56:4ME199840--10.74-
TG 56:5; [M+Na]+@10.60TG 56:5ME199842--10.6-
TG 56:5; [M+NH4]+@10.58TG 56:5ME199841--10.58-
TG 56:6; [M+NH4]+@10.40TG 56:6ME199843--10.4-
TG 56:7; [M+NH4]+@10.22TG 56:7ME199844--10.22-
TG 56:8; [M+NH4]+@10.04TG 56:8ME199845--10.04-
TG 56:9; [M+NH4]+@9.86TG 56:9ME199846--9.86-
TG 57:2; [M+NH4]+@11.25TG 57:2ME199847--11.25-
TG 57:7; [M+NH4]+@10.32TG 57:7ME199848--10.32-
TG 58:10; [M+NH4]+@9.99TG 58:10ME199850--9.99-
TG 58:11; [M+NH4]+@9.81TG 58:11ME199851--9.81-
TG 58:12; [M+NH4]+@9.62TG 58:12ME199852--9.62-
TG 58:1; [M+NH4]+@11.63TG 58:1ME199849--11.63-
TG 58:2; [M+NH4]+@11.38TG 58:2ME199853--11.38-
TG 58:4; [M+NH4]+@10.96TG 58:4ME199854--10.96-
TG 58:5; [M+NH4]+@10.85TG 58:5ME199855--10.85-
TG 58:6; [M+NH4]+@10.63TG 58:6ME199856--10.63-
TG 58:7; [M+NH4]+@10.54TG 58:7ME199857--10.54-
TG 58:8; [M+NH4]+@10.35TG 58:8ME199858--10.35-
TG 58:9; [M+NH4]+@10.18TG 58:9ME199859--10.18-
TG 60:10; [M+NH4]+@10.25TG 60:10ME199861--10.25-
TG 60:12; [M+NH4]+@9.96TG 60:12ME199862--9.96-
TG 60:13; [M+NH4]+@9.75TG 60:13ME199863--9.75-
TG 60:1; [M+NH4]+@11.87TG 60:1ME199860--11.87-
TG 60:9; [M+NH4]+@10.37TG 60:9ME199864--10.37-


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