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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
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-10-Hydroxydecanoic acidME2133056991989-13.534188.14
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-11-DeoxycortisolME213306440707-15.394346.2142
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-PC 16:0_18:0ME21330918631368-25.302761.5981
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-LPC 16:0ME213307460602-22.213495.3342
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-LPC 16:0ME213308460602-22.214495.333
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-LPE 18:0ME2133109547068-22.622481.3169
1-HYDROXY-2-NAPHTHOATE (CAS# 86-48-6); (M-H)-1-Hydroxy-2-naphthoateME2133006844-15.696188.0472
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-1-MethyladenosineME21330127476-2.945281.1115
1-METHYLADENOSINE (CAS# 15763-06-1); (M+HCOO)-1-MethyladenosineME21330227476-2.936281.1126
1-METHYLXANTHINE (CAS# 6136-37-4); (M-H)-1-MethylxanthineME21330380220-2.462166.0503
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-MG 18:1ME2133045283468-22.652356.2899
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M-H)-CiliatineME213298339-0.957125.0231
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-2-Deoxy-glucoseME213311439268-0.74164.0699
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...2-Hydroxy-3-methylbutyric acidME213312853180-3.449118.0622
2-HYDROXYBUTYRATE (CAS# ); (M-H)-2-Hydroxybutyric acidME21331311266-1.76104.0477
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-2-Methylglutaric acidME21331412046-3.532146.0574
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-Citraconic acidME213315643798-2.449130.0268
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...Hydroxyphenyllactic acidME2133169378-3.771182.0576
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...3beta-Hydroxy-5alpha-pregnan-20-oneME21332692787-20.824318.2553
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...Dehydroepiandrosterone sulfateME21332712594-15.655368.1665
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...3-Hydroxymethylglutaric acidME2133171662-1.514162.0517
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-3-HydroxybenzaldehydeME213318101-4.886122.0368
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)-HydroxykynurenineME21331911811-1.357224.078
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-3-Hydroxyphenylacetic acidME21332012122-7.456152.0472
3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); (M-H)...Vanillylmandelic acidME213321736172-1.987198.0544
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)-3-MethoxytyrosineME2133229307-1.936211.0836
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-Methylglutaric acidME21332312284-3.532146.0574
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-3-Methyladipic acidME21332412292-5.687160.0733
3-METHYLXANTHINE (CAS# 1076-22-8); (M-H)-3-MethylxanthineME21332570639-2.398166.0496
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-4-Acetamidobutanoic acidME21332818189-1.795145.0736
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-Paracetamol sulfateME21332983939-2.438231.0207
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-4-HydroxybenzaldehydeME213330126-4.887122.0368
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-4-Hydroxybenzoic acidME213331135-3.976138.0316
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-KetoleucineME21333270-4.814130.0633
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-KetoleucineME21333370-4.814130.0633
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-4-Nitrobenzoic acidME213334101532566-8.437167.0218
4-NITROPHENOL (CAS# 100-02-7); (M-H)-4-NitrophenolME213335980-6.961139.0267
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-4-Pyridoxic acidME2133366723-1.84183.0525
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-5'-DeoxyadenosineME213337439182-2.465251.102
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)-5-HydroxyomeprazoleME213339119560-12.263361.1092
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-5-Hydroxy-tryptophanME213340439280-1.734220.0829
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-5'-MethylthioadenosineME213338439176-4.221297.092
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-5-ValerolactoneME21334110953-2.065100.0523
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-Pimelic acidME213342385-5.687160.0733
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M-H)-AcetaminophenME2133431983-3.028151.0631
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-AMPME2133446083-0.907347.0598
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-Adipic acidME213345196-3.532146.0574
ALLANTOIN (CAS# 97-59-6); (M-H)-AllantoinME213346439714-0.624158.0449
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]AlloseME213347439507-1.514180.0634
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...2-Hydroxyisobutyric acidME213348440873-1.76104.0477
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-alpha-Linolenic acidME2133495280934-22.816278.2229
ARABITOL (CAS# 7643-75-6); (M+HCOO)-ArabitolME21335094154-0.714152.0693
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-Arachidic acidME21335110467-23.55312.3026
ARACHIDONATE (CAS# 506-32-1); (M-H)-Arachidonic acidME213352444899-22.668304.2408
AZELAIC ACID (CAS# 123-99-9); (M-H)-Azelaic acidME2133532266-10.716188.1047
BEHENIC ACID (CAS# 112-85-6); (M-H)-Behenic acidME2133548215-24.057340.3335
BENZOATE (CAS# 65-85-0); (M-H)-Benzoic acidME213355243-4.887122.0368
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-MaltoseME213356439186-0.651342.1144
BILIVERDIN (CAS# 114-25-0); (M-H)-BiliverdinME2133575280353-18.564582.2522
CATECHOL (CAS# 120-80-9); (M-H)-PyrocatecholME213358289-2.542110.0368
CELLOBIOSE (CAS# 528-50-7); (M+CL)-CellobioseME213359294-0.651342.1144
CHOLATE (CAS# 81-25-4); (M+CL)-Cholic acidME213360221493-20.35408.2867
CHOLATE (CAS# 81-25-4); (M-H)-Cholic acidME213361221493-20.349408.287
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-cis-Gondoic acidME2133625282768-23.221310.2874
CIS-ACONITATE (CAS# 585-84-2); (M-H)-cis-Aconitic acidME213363643757-1.174174.0169
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-cis-Vaccenic acidME2133645282761-22.891282.2565
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-cis-ZeatinME213365688597-3.76219.1119
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-cis-ZeatinME213366688597-3.76219.1122
CITRAMALATE (CAS# 2306-22-1); (M-H)-Citramalic acidME213367441696-1.386148.0374
CITRATE (CAS# 77-92-9); (M-H)-Citric acidME213368311-0.999192.028
CITRULLINE (CAS# 372-75-8); (M-H)-CitrullineME2133699750-0.615175.096
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-CorticosteroneME2133705753-15.393346.2134
CORTISOL (CAS# 50-23-7); (M+CL)-CortisolME2133715754-13.803362.209
CORTISOL (CAS# 50-23-7); (M+HCOO)-CortisolME2133725754-13.8362.2093
CORTISONE (CAS# 53-06-5); (M+CL)-CortisoneME213373222786-13.368360.1935
CORTISONE (CAS# 53-06-5); (M+HCOO)-CortisoneME213374222786-13.368360.1932
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...Cycloheptanecarboxylic acidME21337515091-10.716142.0992
CYTIDINE 5'-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+C...CDP-cholineME21337613804-0.731488.1077
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-ArabinoseME21337766308-0.621150.0538
DECANOATE (CAS# 334-48-5); (M-H)-Capric acidME2133812969-19.791172.1463
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-L-Dehydroascorbic acidME213382210328-0.848174.0175
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-DeoxyadenosineME21338313730-1.782251.1014
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-Deoxycholic acidME213384222528-21.677392.2895
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-Deoxycholic acidME213385222528-21.674392.2923
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-DeoxycytidineME21338613711-0.673227.0904
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-DeoxyuridineME21338713712-1.564228.076
DIACETYL (CAS# 431-03-8); (M+HCOO)-DiacetylME213388650-2.02786.0368
D-LYXOSE (CAS# 1114-34-7); (M-H)-LyxoseME21337965550-0.668150.0533
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-LyxoseME21337865550-0.621150.0538
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-Docosahexaenoic acidME213389445580-22.66328.241
D-ORNITHINE (CAS# 348-66-3); (M-H)-D-OrnithineME2133806262-0.615132.0898
EDTA (CAS# 60-00-4); (M-H)-Edetic acidME2133906049-0.846292.0922
ELAIDIC ACID (CAS# 112-79-8); (M-H)-Elaidic acidME213391637517-22.891282.2565
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-24-epi-BrassinolideME213392115196-19.782480.3444
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...24-epi-BrassinolideME213393115196-19.782480.3448
ERUCIC ACID (CAS# 112-86-7); (M-H)-cis-Erucic acidME2133945281116-23.625338.3179
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-Ethylmalonic acidME21339511756-2.731132.0421
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-FructoseME2133965984-0.589180.064
GALACTARATE (CAS# 526-99-8); (M-H)-Galactaric acidME2133973037582-0.898210.0374
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-Galacturonic acidME21339884740-0.62194.0423
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-gamma-ButyrolactoneME2133997302-2.02786.0368
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-gamma-Linolenic acidME2134005280933-22.819278.2229
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-Gibberellin A3ME2134016466-8.456346.1398
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-Gibberellin A3ME2134026466-8.457346.1408
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-Gibberellin A3ME2134036466-8.456346.1414
GLUCARIC ACID (CAS# 87-73-0); (M-H)-Glucaric acidME21340533037-0.898210.0374
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]Glucaric acidME21340433037-0.984210.0395
GLUCONIC ACID (CAS# 526-95-4); (M-H)-Gluconic acidME21340610690-0.621196.0593
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-Glucuronic acidME21340794715-0.62194.0423
GLUTAMATE (CAS# 56-86-0); (M-H)-Glutamic acidME21340833032-0.647147.053
GLUTAMINE (CAS# 56-85-9); (M-H)-GlutamineME2134095961-0.592146.07
GLUTARATE (CAS# 110-94-1); (M-H)-Glutaric acidME213410743-2.027132.0422
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]GlyceraldehydeME21341179014-1.51290.0309
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-Glycocholic acidME21341210140-18.884465.3072
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)-Glycolithocholic acidME213413115245-21.749433.3184
HEPTADECANOATE (CAS# 506-12-7); (M-H)-Margaric acidME21341410465-22.978270.2559
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-Cerotic acidME21341510469-25.66396.3962
HIPPURATE (CAS# 495-69-2); (M-H)-Hippuric acidME213416464-4.775179.0579
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-Hyodeoxycholic acidME2134175283820-22.844392.2924
HYPOXANTHINE (CAS# 68-94-0); (M-H)-HypoxanthineME213418790-1.025136.0385
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)...-ME21342010444113-13.012236.1037
IBUPROFEN (CAS# 15687-27-1); (M-H)-IbuprofenME213419114864-18.847206.1302
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-Indoleacetic acidME213421802-8.364175.0627
INOSINE 5'-DIPHOSPHATE (CAS# 86-04-4); (M-H)-IDPME2134246831-0.823428.0153
INOSINE (CAS# 58-63-9); (M+CL)-InosineME2134226021-1.807268.082
INOSINE (CAS# 58-63-9); (M-H)-InosineME2134236021-1.755268.0833
ISOCITRATE (CAS# 320-77-4); (M-H)-Isocitric acidME2134255318532-0.748192.0287
ISOLEUCINE (CAS# 73-32-5); (M-H)-IsoleucineME2134266306-1.55131.0939
KYNURENINE (CAS# 343-65-7); (M-H)-KynurenineME213427161166-2.126208.0837
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-2-Aminobenzoic acidME213436227-5.292138.0444
LACTOSE (CAS# 63-42-3); (M+CL)-LactoseME213437440995-0.651342.1144
L-ARGININE (CAS# 74-79-3); (M-H)-ArginineME2134286322-0.583174.1118
LAURIC ACID (CAS# 143-07-7); (M-H)-Lauric acidME2134383893-21.721200.1777
L-CARNITINE (CAS# 541-15-1); (M+CL)-CarnitineME21342910917-0.615161.104
LEUCINE (CAS# 328-39-2); (M-H)-LeucineME2134396106-1.552131.0939
L-GULONATE (CAS# 6322-07-2); (M-H)-Gulonic acidME213431152304-0.621196.0593
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]Gulonic acidME213430152304-0.668196.0586
L-HISTIDINE (CAS# 71-00-1); (M-H)-HistidineME2134326274-0.587155.0702
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-Lignoceric acidME21344011197-24.736368.3649
LINOLEATE (CAS# 60-33-3); (M-H)-Linoleic acidME2134415280450-22.692280.2411
LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)-Lithocholic acidME2134429903-22.264376.2995
L-ORNITHINE (CAS# 70-26-8); (M-H)-OrnithineME2134336262-0.615132.0898
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-RhamnoseME21343425310-0.736164.0699
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-TryptophanME21343516217285-3.498206.083
LYSINE (CAS# 56-87-1); (M-H)-LysineME2134435962-0.593146.1042
MALATE (CAS# 97-67-6); (M-H)-Malic acidME213444222656-0.722134.0228
MALTOSE (CAS# 69-79-4); (M+CL)-MaltoseME213445439186-0.651342.1144
MANDELIC ACID (CAS# 611-71-2); (M-H)-Mandelic acidME21344611914-6.855152.0469
MELIBIOSE (CAS# 585-99-9); (M+CL)-MelibioseME213447440658-0.651342.1144
METHIONINE (CAS# 63-68-3); (M-H)-MethionineME2134486137-0.944149.0499
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCO...Methyl beta-D-galactosideME21344994214-0.616194.0783
METHYLMALONATE (CAS# 516-05-2); (M-H)-Methylmalonic acidME213450487-1.295118.027
MEVALONIC ACID (CAS# 674-26-0); (M-H)-Mevalonic acidME213451439230-1.593148.0724
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-Monomethyl glutaric acidME21345273917-3.532146.0574
MYRISTIC ACID (CAS# 544-63-8); (M-H)-Myristic acidME21345311005-22.415228.2096
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-Myristoleic acidME2134545281119-22.021226.1933
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-N-AcetylmethionineME213456448580-4.057191.0607
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-N-AcetylserineME21345765249-0.647147.053
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-N-Acetyl-D-tryptophanME213455439917-7.901246.0992
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-N-AcetylglycineME2134621097-0.81117.0436
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-N-AcetylalanineME21345888064-1.476131.0581
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-N-Acetylaspartic acidME21345965065-0.696175.0484
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-N-AcetylleucineME21346075619-6.945173.1041
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-N-AcetylphenylalanineME21346174839-7.692207.0887
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-N-Acetylneuraminic acidME213463439197-0.686309.1064
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+CL)-GlucosamineME21346413998612-3.429279.1299
NERVONIC ACID (CAS# 506-37-6); (M-H)-Nervonic acidME2134685281120-24.134366.3496
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M-H)-N-EthylmaleimideME2134654362-3.413125.0472
NICOTINATE (CAS# 59-67-6); (M-H)-Nicotinic acidME213469938-0.827123.0332
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-N-Methyl-D-aspartic acidME2134664376-0.647147.053
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)-N-Oleoyl glycineME2134676436908-22.527339.2784
NONANOATE (CAS# 112-05-0); (M-H)-Pelargonic acidME2134708158-18.323158.1304
NORLEUCINE (CAS# 327-57-1); (M-H)-NorleucineME21347121236-1.552131.0939
OLEIC ACID (CAS# 112-80-1); (M-H)-Oleic acidME213472445639-22.891282.2565
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H...12-Hydroxy lauric acidME21347379034-16.989216.1724
OMEPRAZOLE (CAS# 73590-58-6); (M-H)-OmeprazoleME2134744594-11.068345.1137
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)-Omeprazole sulfoneME213475145900-12.263361.1095
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O]Oxaloacetic acidME213476970-0.742132.0048
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME21347783944-2.196327.094
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME21347883944-2.195327.0957
PALATINOSE (CAS# 343336-76-5); (M+CL)-PalatinoseME213479439559-0.651342.1144
PALMITATE (CAS# 57-10-3); (M-H)-Palmitic acidME213480985-22.812256.2408
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-Palmitoleic acidME213481445638-22.545254.2251
PANTOTHENATE (CAS# 79-83-4); (M-H)-Pantothenic acidME2134826613-3.271219.1105
PARAXANTHINE (CAS# 611-59-6); (M-H)-ParaxanthineME2134834687-4.351180.0646
PHENYL ACETATE (CAS# 122-79-2); (M-H)-Phenyl acetateME213485999-3.768136.0524
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-Phenyl acetateME213484999-3.771136.0522
PHENYLALANINE (CAS# 63-91-2); (M-H)-PhenylalanineME2134866140-2.461165.0787
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-Phenylpyruvic acidME213487997-5.402164.0463
PHTHALATE (CAS# 88-99-3); (M-H)-Phthalic acidME2134881017-4.905166.0264
PHYTANATE (CAS# 14721-66-5); (M-H)-Phytanic acidME21348910380830-23.227312.3018
PICOLINIC ACID (CAS# 98-98-6); (M-H)-Picolinic acidME2134901018-0.827123.0332
PROPYNOATE (CAS# 471-25-0); (M-H)-Propynoic acidME21349110110-0.87370.0053
PTERIN (CAS# 2236-60-4); (M-H)-PterinME21349273000-1.692163.048
PURINE (CAS# 120-73-0); (M-H)-PurineME2134931044-1.558120.0435
RAFFINOSE (CAS# 512-69-6); (M+CL)-RaffinoseME213494439242-0.679504.1666
RETINOATE (CAS# 302-79-4); (M-H)-Retinoic acidME213495444795-22.242300.2116
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...3-Methyl-2-oxovaleric acidME21329947-4.416130.0633
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-S-AdenosylhomocysteineME213496439155-1.455384.12
SALICYLATE (CAS# 69-72-7); (M-H)-Salicylic acidME213497338-8.177138.0316
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-Salicyluric acidME21349810253-6.18195.0535
SEBACIC ACID (CAS# 111-20-6); (M-H)-Sebacic acidME2134995192-12.937202.1204
STACHYOSE (CAS# 54261-98-2); (M+CL)-StachyoseME213500439531-0.763666.2174
STEARATE (CAS# 57-11-4); (M-H)-Stearic acidME2135015281-23.147284.272
SUBERIC ACID (CAS# 505-48-6); (M-H)-Suberic acidME21350210457-8.237174.0888
SUCCINATE (CAS# 110-15-6); (M-H)-Succinic acidME2135031110-1.295118.027
SUCROSE (CAS# 57-50-1); (M+CL)-SucroseME2135045988-0.651342.1144
TAURINE (CAS# 107-35-7); (M-H)-TaurineME2135051123-0.598125.0155
THEOPHYLLINE (CAS# 58-55-9); (M-H)-TheophyllineME2135062153-4.351180.0646
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]ThreonineME2135076288-0.647119.0594
THYMIDINE (CAS# 50-89-5); (M+CL)-ThymidineME2135085789-2.391242.0893
THYMIDINE (CAS# 50-89-5); (M+HCOO)-ThymidineME2135095789-2.431242.0902
THYROXINE (CAS# 51-48-9); (M-H)-ThyroxineME2135105819-16.092776.6849
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-trans-Aconitic acidME213511444212-1.174174.0169
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-trans-Vaccenic acidME2135125281127-22.891282.2565
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)-Melissic acidME21351310471-28.84452.4572
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME21351414925-1.05176.0306
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-Tricosylic acidME21351517085-24.371354.349
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-Tridecylic acidME21351612530-22.132214.1927
TRYPTOPHAN (CAS# 73-22-3); (M-H)-TryptophanME2135176305-3.507204.0889
TYROSINE (CAS# 60-18-4); (M-H)-TyrosineME2135186057-1.267181.0741
URATE (CAS# 69-93-2); (M-H)-Uric acidME2135191175-0.965168.0297
URIDINE (CAS# 58-96-8); (M+CL)-UridineME2135206029-1.325244.0699
URIDINE (CAS# 58-96-8); (M-H)-UridineME2135226029-1.325244.0699
URIDINE (CAS# 58-96-8); (M+HCOO)-UridineME2135216029-1.323244.0705
UROCANATE (CAS# 104-98-3); (M-H)-Urocanic acidME213523736715-0.681138.0422
URSODIOL (CAS# 128-13-2); (M-H)-Ursodeoxycholic acidME21352531401-21.669392.2924
URSODIOL (CAS# 128-13-2); (M+HCOO)-Ursodeoxycholic acidME21352431401-21.565392.292
XANTHINE (CAS# 69-89-6); (M-H)-XanthineME2135261188-1.236152.0341
XANTHOSINE (CAS# 146-80-5); (M-H)-XanthosineME21352764959-2.24284.0757
XYLOSE (CAS# 58-86-6); (M+HCOO)-XyloseME213528135191-0.631150.0538
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-trans-ZeatinME213529449093-3.76219.112
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-trans-ZeatinME213530449093-3.76219.1122


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
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+11-DeoxycortisolME213541440707-15.462346.213
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+PC 16:0_18:0ME21354418631368-25.244761.5937
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+PC 16:0_18:0ME21354518631368-25.407761.6001
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+LPC 16:0ME213542460602-22.227495.3336
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+LPC 16:0ME213543460602-22.227495.334
18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+LPE 18:0ME2135469547068-22.871481.3181
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+LPE 18:0ME2135479547068-22.631481.3175
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+LPE 18:0ME2135489547068-22.63481.3198
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...1-Aminocyclopropanecarboxylic acidME2135345460234-0.979101.0468
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+1-MethyladenosineME21353527476-2.998281.1126
1-METHYLNICOTINAMIDE (CAS# ); M+1-Methyl nicotinamideME213536457-0.559137.0704
1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+1-Methyluric acidME21353769726-2.203182.0439
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+1-MethylxanthineME21353880220-2.523166.0487
1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+1-MethylxanthineME21353980220-2.507166.0506
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+MG 18:1ME2135405283468-22.682356.2935
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+LPC 20:0ME21355424779473-22.961551.3901
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+LPC 20:0ME21355524779473-22.881551.3974
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+CiliatineME213532339-1.007125.023
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+2-Deoxy-glucoseME213550439268-0.693164.0697
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+DeoxyguanosineME213549187790-1.765267.0961
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+2-Hydroxybutyric acidME21355111266-1.529104.0472
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+Citraconic acidME213552643798-2.624130.0268
2-OXOBUTANOATE (CAS# 600-18-0); (M+H)+3-Methyl pyruvic acidME21355358-0.617102.0314
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA...Hydroxyphenyllactic acidME2135569378-3.856182.0576
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]3-Aminoisobutanoic acidME21355764956-1.844103.0635
3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (...DehydroepiandrosteroneME2135665881-17.299288.2069
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+H)+[-H2O]3-DehydroshikimateME213558439774-1.063172.0359
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+NA)+3-DehydroshikimateME213559439774-1.258172.0389
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+3-Hydroxyanthranilic acidME21356086-2.894153.0427
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O...3-HydroxybenzaldehydeME213561101-4.87122.037
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M+H)+3-Hydroxyphenylacetic acidME21356212122-8.787152.0466
3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); (M+NA...Vanillylmandelic acidME213563736172-1.829198.0516
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+3-MethoxytyrosineME2135649307-1.99211.0841
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+3-Methyladipic acidME21356512292-5.736160.073
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+4-Acetamidobutanoic acidME21356718189-1.843145.073
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+H)+Paracetamol sulfateME21356883939-2.455231.0198
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+NA)+Paracetamol sulfateME21356983939-2.456231.0203
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4);...VanylglycolME213570688030-2.614184.073
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+cis-4-HydroxyprolineME213571440015-0.696131.0595
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)...KetoleucineME21357270-4.687130.0639
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+4-Pyridoxic acidME2135736723-1.896183.052
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+4-Quinolinecarboxylic acidME21357410243-2.175173.0473
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...LathosterolME21358465728-24.539386.3552
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+5-Amino-levulinic acidME213576137-0.696131.0595
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+5-Amino-levulinic acidME213577137-0.652131.0582
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+5-Aminopentanoic acidME213578138-0.783117.079
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+5-Hydroxyindoleacetic acidME2135811826-4.291191.0586
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+H)+5-HydroxyomeprazoleME213579119560-12.245361.1105
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+NA)+5-HydroxyomeprazoleME213580119560-12.252361.1104
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+5'-MethylthioadenosineME213575439176-4.432297.0904
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+Pyroglutamic acidME2135827405-1.207129.0425
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+5-ValerolactoneME21358310953-2.121100.0526
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+Pimelic acidME213585385-5.736160.073
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+H)+AcetaminophenME2135861983-3.096151.0635
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)...AcetaminophenME2135871983-3.038151.0635
ACETOACETATE (CAS# 541-50-4); (M+H)+Acetoacetic acidME21358896-2.621102.0315
ACETYLCHOLINE (CAS# 51-84-3); M+AcetylcholineME213589187-3.818146.1169
ADENOSINE 5'-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+AMPME2135916083-0.936347.0609
ADENOSINE (CAS# 58-61-7); (M+H)+AdenosineME21359060961-1.765267.0961
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O]2-Oxoglutaric acidME21359251-0.898146.0203
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+alpha-Linolenic acidME2135935280934-22.781278.2222
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+alpha-TocopherolME21359414985-24.47430.3775
AZELAIC ACID (CAS# 123-99-9); (M+NA)+Azelaic acidME2135952266-10.817188.1058
BETA-ALANINE (CAS# 107-95-9); (M+H)+beta-AlanineME213596239-0.66389.0474
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85...AnserineME213597112072-0.81240.1225
BETAINE (CAS# 107-43-7); (M+H)+BetaineME213599247-0.73117.079
BETAINE (CAS# 107-43-7); (M+NA)+BetaineME213600247-0.553117.0784
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+MaltoseME213598439186-0.665342.115
BILIVERDIN (CAS# 114-25-0); (M+H)+BiliverdinME2136015280353-18.376582.2475
BILIVERDIN (CAS# 114-25-0); (M+NA)+BiliverdinME2136025280353-18.377582.2511
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+Bis(2-ethylhexyl)phthalateME2136038343-23.066390.2795
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...Bis(2-ethylhexyl)phthalateME2136048343-23.064390.2777
BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+CAR 4:0ME213605213144-2.845231.1468
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME21360646891735-23.04643.5061
CAFFEINE (CAS# 58-08-2); (M+H)+CaffeineME2136072519-5.902194.0809
CAFFEINE (CAS# 58-08-2); (M+NA)+CaffeineME2136082519-5.911194.0814
CARNITINE (CAS# 541-15-1); (M+H)+CarnitineME21360910917-0.634161.1042
CARNOSINE (CAS# 305-84-0); (M+H)+CarnosineME213610439224-0.637226.1081
CARNOSINE (CAS# 305-84-0); (M+NA)+CarnosineME213611439224-0.632226.1083
CELLOBIOSE (CAS# 528-50-7); (M+NA)+CellobioseME213612294-0.665342.115
CHOLATE (CAS# 81-25-4); (M+NA)+Cholic acidME213613221493-20.394408.2889
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]CholesterolME2136145997-24.539386.3552
CHOLINE (CAS# 62-49-7); M+CholineME213615305-0.614104.1072
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+Choline phosphateME2136161014-0.712183.0661
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+cis-Vaccenic acidME2136175282761-22.896282.2559
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+cis-Vaccenic acidME2136185282761-22.696282.2576
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+cis-ZeatinME213619688597-3.815219.1126
CITRATE (CAS# 77-92-9); (M+NA)+Citric acidME213620311-1.044192.0272
CITRULLINE (CAS# 372-75-8); (M+H)+CitrullineME2136219750-0.638175.0948
CITRULLINE (CAS# 372-75-8); (M+NA)+CitrullineME2136229750-0.638175.0955
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+CorticosteroneME2136235753-15.45346.213
CORTISOL (CAS# 50-23-7); (M+H)+CortisolME2136245754-13.884362.2094
CORTISOL (CAS# 50-23-7); (M+NA)+CortisolME2136255754-13.884362.2103
CORTISONE (CAS# 53-06-5); (M+H)+CortisoneME213626222786-13.451360.1924
CORTISONE (CAS# 53-06-5); (M+NA)+CortisoneME213627222786-13.438360.1952
(-)-COTININE (CAS# 486-56-6); (M+H)+CotinineME213531854019-1.659176.094
CREATININE (CAS# 60-27-5); (M+H)+CreatinineME213628588-0.618113.058
CREATININE (CAS# 60-27-5); (M+NA)+CreatinineME213629588-0.662113.058
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+NA)...-ME21363071309782-0.731114.0622
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+H)+-ME21363171309782-0.62114.0628
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]CystathionineME213632439258-0.671222.0673
CYSTINE (CAS# 56-89-3); (M+H)+CystineME2136336857538-0.792240.0244
CYSTINE (CAS# 56-89-3); (M+NA)+CystineME2136346857538-0.635240.0237
DEBRISOQUIN (CAS# 581-88-4); (M+H)+DebrisoquineME2136372966-5.221175.1101
DECANOATE (CAS# 334-48-5); (2M+NA)+Capric acidME2136382969-22.774172.1461
DECANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+CAR 10:0ME21363911953821-15.041315.2412
DECENOYLCARNITINE (*) (CAS# 98930-66-6); (M+H)+CAR 10:1ME21364057357170-13.712313.2252
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+Deoxycholic acidME213641222528-21.699392.2919
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]DesmosterolME213642439577-24.211384.3395
DIPHENHYDRAMINE (CAS# 147-24-0); (M+H)+DiphenhydramineME2136433100-10.809255.1626
DODECENOYLCARNITINE (*) (CAS# 000-00-0); M+CAR 12:1ME21364453481671-16.449342.2617
DODECENOYLCARNITINE (*) II (CAS# 000-00-0); M+CAR 12:1ME21364553481671-16.523342.2617
D-ORNITHINE (CAS# 348-66-3); (M+H)+D-OrnithineME2136356262-0.525132.09
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]PsicoseME21363690008-0.666180.0628
EDTA (CAS# 60-00-4); (M+H)+Edetic acidME2136466049-0.869292.0901
EDTA (CAS# 60-00-4); (M+NA)+Edetic acidME2136476049-1.265292.0905
EICOSATRIENOYLCARNITINE (*) (CAS# 000-00-0); M+CAR 20:3ME21364887076458-21.039422.3249
ELAIDIC ACID (CAS# 112-79-8); (M+H)+Elaidic acidME213649637517-22.896282.2559
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+Elaidic acidME213650637517-22.799282.2552
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+H)+24-epi-BrassinolideME213651115196-19.847480.3452
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+NA)+24-epi-BrassinolideME213652115196-19.847480.3462
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]EpinephrineME2136535816-0.902183.0885
ESTRONE (CAS# 53-16-7); (M+H)+EstroneME2136545870-16.393270.1603
ETHANOLAMINE (CAS# 141-43-5); (M+NA)+EthanolamineME213655700-0.62761.053
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M+H)+PhosphoethanolamineME2136561015-1.014141.0179
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+Ethylmalonic acidME21365711756-3.048132.043
FERULATE (CAS# 1135-24-6); (M+H)+trans-Ferulic acidME213658445858-7.999194.0563
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+FlucytosineME2136593366-0.629129.0346
FRUCTOSE (CAS# 57-48-7); (M+NA)+FructoseME2136605984-0.653180.0627
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)...gamma-GlutamylcysteineME213661123938-0.992250.0616
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+gamma-Linolenic acidME2136625280933-22.781278.2222
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+Gibberellin A3ME2136636466-8.547346.1417
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]GlucoseME2136645793-0.666180.0628
GLUCOSE (CAS# 50-99-7); (M+NA)+GlucoseME2136655793-0.654180.0625
GLUTAMATE (CAS# 56-86-0); (M+H)+Glutamic acidME21366633032-0.631147.0537
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]Glutamic acidME21366733032-0.629147.0525
GLUTARYLCARNITINE (*) (CAS# 102636-82-8); (M+H)+CAR DC5:0ME21366853481622-1.941275.137
GLYCINE (CAS# 56-40-6); (M+H)+GlycineME213669750-0.92475.032
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+Glycochenodeoxycholic acidME2136709548796-20.701449.3121
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...Glycochenodeoxycholic acidME2136719548796-20.344449.3132
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+Glycochenodeoxycholic acidME2136729548796-20.321449.3144
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+Glycocholic acidME21367310140-18.945465.3068
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]Glycocholic acidME21367410140-18.92465.3056
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+Glycolithocholic acidME213675115245-21.67433.3169
GUANINE (CAS# 73-40-5); (M+H)+GuanineME213676764-0.983151.048
HEXANOYLCARNITINE (*) (CAS# 66279-77-4); M+CAR 6:0ME2136773246939-6.901260.1863
HIPPURATE (CAS# 495-69-2); (M+H)+Hippuric acidME213678464-4.868179.059
HIPPURATE (CAS# 495-69-2); (M+NA)+Hippuric acidME213679464-4.869179.0587
HOMOCYSTINE (CAS# 462-10-2); (M+H)+HomocystineME21368010010-0.702268.0555
HOMOSERINE (CAS# 672-15-1); (M+NA)+HomoserineME21368112647-0.619119.0576
HYPOXANTHINE (CAS# 68-94-0); (M+H)+HypoxanthineME213682790-1.093136.0386
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)...-ME21368410444113-13.028236.1027
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA...-ME21368510444113-13.093236.1053
IBUPROFEN (CAS# 15687-27-1); (M+NA)+IbuprofenME213683114864-18.932206.1295
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+Indoleacetic acidME213686802-8.472175.0648
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+Indoleacetic acidME213687802-8.474175.0638
ISO-BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+CAR 3:0;2MeME213688168379-2.795231.1469
ISOLEUCINE (CAS# 73-32-5); (M+H)+IsoleucineME2136896306-1.549131.0947
ISOLEUCINE (CAS# 73-32-5); (M+NA)+IsoleucineME2136906306-1.596131.0938
ISOVALERYLCARNITINE (*) (CAS# 31023-24-2); (M+H)+CAR 4:0;3MeME213691169235-4.501245.1628
KYNURENIC ACID (CAS# 492-27-3); (M+H)+Kynurenic acidME2136923845-4.994189.0436
KYNURENINE (CAS# 343-65-7); (M+H)+KynurenineME213693161166-2.186208.0848
KYNURENINE (CAS# 343-65-7); (M+NA)+KynurenineME213694161166-2.188208.0852
LACTOSE (CAS# 63-42-3); (M+NA)+LactoseME213700440995-0.665342.115
LANOSTEROL (CAS# 79-63-0); (M+NA)+LanosterolME213701246983-23.781426.3853
L-ARGININE (CAS# 74-79-3); (M+H)+ArginineME2136956322-0.608174.1115
L-ARGININE (CAS# 74-79-3); (M+NA)+ArginineME2136966322-0.59174.1118
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+CAR 12:0ME213702168381-17.616343.2719
LEUCINE (CAS# 328-39-2); (M+H)+LeucineME2137036106-1.6131.0947
LEUCINE (CAS# 328-39-2); (M+NA)+LeucineME2137046106-1.603131.0938
L-HISTIDINE (CAS# 71-00-1); (M+H)+HistidineME2136976274-0.779155.0686
L-HISTIDINE (CAS# 71-00-1); (M+NA)+HistidineME2136986274-0.606155.0691
LINOLEOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+CAR 18:2ME2137056450015-20.662423.3351
L-ORNITHINE (CAS# 70-26-8); (M+H)+OrnithineME2136996262-0.525132.09
LUMICHROME (CAS# 1086-80-2); (M+NA)+LumichromeME2137065326566-10.943242.0819
LYSINE (CAS# 56-87-1); (M+H)+LysineME2137075962-0.524146.1054
LYSINE (CAS# 56-87-1); (M+NA)+LysineME2137085962-0.544146.1045
MALTOSE (CAS# 69-79-4); (M+NA)+MaltoseME213709439186-0.665342.115
MELIBIOSE (CAS# 585-99-9); (M+NA)+MelibioseME213710440658-0.665342.115
METHIONINE (CAS# 63-68-3); (M+H)+MethionineME2137116137-0.984149.0511
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+H)+Indole-3-methyl acetateME21371274706-11.745189.0786
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+Indole-3-methyl acetateME21371374706-11.744189.0792
METHYL JASMONATE (CAS# 1211-29-6); (M+H)+Methyl jasmonateME2137145281929-16.024224.1391
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+Methyl jasmonateME2137155281929-16.025224.1413
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+Mevalonic acidME213716439230-1.809148.073
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+Myo-inositolME213717892-0.639180.0625
MYRISTOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+CAR 14:0ME2137183413344-19.558371.3036
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+N-AcetylmethionineME213722448580-4.138191.0624
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+N-AcetylserineME21372365249-0.653147.0521
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]N-AcetylserineME21372465249-0.718147.0528
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+N-Acetyl-D-tryptophanME213720439917-8.011246.1018
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+N-Acetyl-D-tryptophanME213721439917-8.005246.1007
N-ACETYLGLYCINE (CAS# 543-24-8); (M+H)+N-AcetylglycineME2137291097-1.003117.0417
N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+N-AcetylglycineME2137301097-0.921117.0428
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+N-AcetylalanineME21372588064-1.82131.0576
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+N-AcetylalanineME21372688064-1.527131.0579
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+N-AcetylleucineME21372775619-7.277173.1059
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+N-AcetylphenylalanineME21372874839-7.8207.0906
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+N(2)-AcetyllysineME21373192907-0.678188.1162
NAPROXEN (CAS# 22204-53-1); (M+H)+NaproxenME213737156391-15.836230.0941
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+N-CyclohexylformamideME21373213017-8.018127.0987
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+N-CyclohexylformamideME21373313017-8.012127.0992
NICOTINAMIDE (CAS# 98-92-0); (M+H)+NiacinamideME213738936-1.114122.0474
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+N-Methyl-D-aspartic acidME2137344376-0.632147.0537
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...N-Methyl-glutamic acidME213735439377-2.007161.0678
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+N-Methyl-glutamic acidME213736439377-1.896161.0699
NONANOATE (CAS# 112-05-0); (M+NA)+Pelargonic acidME2137398158-13.253158.132
NORADRENALINE (CAS# 51-41-2); (M+H)+Xi-NorepinephrineME213740951-0.657169.0742
NORLEUCINE (CAS# 327-57-1); (M+H)+NorleucineME21374121236-1.6131.0947
NORMETANEPHRINE (CAS# 97-31-4); (M+H)+[-H2O]NormetanephrineME213742688100-2.654183.0885
NORVALINE (CAS# 6600-40-4); M+[-CO2H]NorvalineME21374465098-0.877117.0794
NORVALINE (CAS# 6600-40-4); (M+H)+NorvalineME21374365098-0.877117.0791
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+3-MethylhistidineME21371964969-0.629169.0838
OCTANOYLCARNITINE (*) (CAS# 38263-56-8); (M+H)+CAR 8:0ME213746123701-11.483287.2098
OCTENOYLCARNITINE (*) (CAS# 000-00-0); M+CAR 8:1ME21374771464472-9.396286.2021
OLEIC ACID (CAS# 112-80-1); (M+H)+Oleic acidME213748445639-22.49282.2552
OLEIC ACID (CAS# 112-80-1); (M+NA)+Oleic acidME213749445639-22.568282.2548
OLEOYLCARNITINE (*) (CAS# 13962-05-5); (M+H)+CAR 18:1ME2137506441392-21.29425.3504
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H...12-Hydroxy lauric acidME21375179034-16.623216.1726
OMEPRAZOLE (CAS# 73590-58-6); (M+H)+OmeprazoleME2137524594-11.017345.1151
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M+H)+Omeprazole sulfoneME213753145900-12.245361.1105
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+Ophthalmic acidME2137547018721-0.984289.127
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+o-SuccinylhomoserineME213745439406-1.295219.0721
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME21375583944-2.252327.0952
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME21375683944-2.253327.0958
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME21375783944-2.254327.0958
PALATINOSE (CAS# 343336-76-5); (M+NA)+PalatinoseME213758439559-0.665342.115
PALMITOLEYLCARNITINE (*) (CAS# 000-00-0); M+CAR 16:1ME21375971464547-20.121398.326
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+CAR 16:0ME21376011953816-21.037399.3354
PANTOTHENATE (CAS# 79-83-4); (M+H)+Pantothenic acidME2137616613-3.336219.1096
PANTOTHENATE (CAS# 79-83-4); (M+NA)+Pantothenic acidME2137626613-3.337219.1106
PARAXANTHINE (CAS# 611-59-6); (M+H)+ParaxanthineME2137634687-4.392180.065
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ParaxanthineME2137644687-4.424180.0647
PHENYLALANINE (CAS# 63-91-2); (M+H)+PhenylalanineME2137656140-2.537165.0781
PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+PhenylhydrazineME2137667516-3.873108.0682
PIPECOLATE (CAS# 535-75-1); (M+H)+Pipecolic acidME213767849-0.949129.0782
PIPECOLATE (CAS# 535-75-1); (M+NA)+Pipecolic acidME213768849-0.678129.0784
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME21376983228-0.626162.1013
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME21377083228-0.619162.1004
PROLINE (CAS# 147-85-3); (M+H)+ProlineME213771145742-0.676115.0633
PROLINE (CAS# 147-85-3); (M+NA)+ProlineME213772145742-0.667115.0635
PROPIONYLCARNITINE (*) (CAS# 17298-37-2); (M+H)+CAR 3:0ME213773107738-1.604217.1311
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+PGE2ME2137745280360-16.864352.2218
PURINE (CAS# 120-73-0); (M+H)+PurineME2137751044-1.348120.0434
PURINE (CAS# 120-73-0); (M+NA)+PurineME2137761044-1.141120.0431
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]PyridoxalME2137771050-2.192167.0582
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+2-HydroxyquinolineME2137786038-7.684145.053
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...MG 14:0ME21377979050-22.128302.2464
RAFFINOSE (CAS# 512-69-6); (M+NA)+RaffinoseME213780439242-0.691504.1683
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME213533440473-0.825198.0633
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+S-AdenosylhomocysteineME213781439155-1.484384.1209
SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+Salicyluric acidME21378210253-6.298195.0551
SARCOSINE (CAS# 107-97-1); (M+H)+SarcosineME2137831088-0.66389.0474
SERINE (CAS# 56-45-1); (M+H)+SerineME213784617-0.983105.042
SEROTONIN (CAS# 50-67-9); (M+H)+SerotoninME2137855202-1.659176.094
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME213786439285-0.686257.1023
SPERMIDINE (CAS# 124-20-9); (M+H)+SpermidineME2137871102-0.517145.1575
SPERMINE (CAS# 71-44-3); (M+H)+SpermineME2137881103-0.494202.216
SPHINGANINE (CAS# 764-22-7); (M+H)+SphinganineME213789644260-20.601301.2981
SPHINGANINE (CAS# 764-22-7); (M+NA)+SphinganineME213790644260-20.601301.2966
SPHINGOSINE (CAS# 123-78-4); (M+H)+SphingosineME2137915280335-20.161299.2822
SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]SphingosineME2137925280335-20.161299.2819
SPHINGOSINE (CAS# 123-78-4); (M+NA)+SphingosineME2137935280335-20.158299.2811
STEAROYLCARNITINE (*) (CAS# 1976-27-8); (M+H)+CAR 18:0ME21379452922056-21.663427.366
SUBERIC ACID (CAS# 505-48-6); (M+NA)+Suberic acidME21379510457-8.345174.09
SUCROSE (CAS# 57-50-1); (M+NA)+SucroseME2137965988-0.665342.115
TAURINE (CAS# 107-35-7); (M+NA)+TaurineME2137971123-0.657125.0145
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+Taurochenodeoxycholic acidME213798387316-20.512499.2969
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+Taurolithocholic acidME213799439763-21.549483.3065
TERBINAFINE (CAS# 91161-71-6); (M+H)+TerbinafineME2138001549008-15.088291.1993
TETRADECADIENOYLCARNITINE (*) (CAS# 000-00-0); M+CAR 14:2ME21380153481681-17.539368.2781
TETRADECENOYLCARNITINE (*) (CAS# 000-00-0); M+CAR 14:1ME21380222833575-18.646370.2959
THEOBROMINE (CAS# 83-67-0); (M+H)+TheobromineME2138035429-3.481180.0648
THEOBROMINE (CAS# 83-67-0); (M+NA)+TheobromineME2138045429-3.493180.0637
THEOPHYLLINE (CAS# 58-55-9); (M+H)+TheophyllineME2138052153-4.352180.065
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+TheophyllineME2138062153-4.434180.0648
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]ThreonineME2138076288-0.98119.0573
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]TXB2ME2138085283137-16.849370.2326
THYROXINE (CAS# 51-48-9); (M+H)+ThyroxineME2138095819-16.134776.6871
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+trans-4-HydroxyprolineME2138105810-0.696131.0595
TRYPTOPHAN (CAS# 73-22-3); (M+H)+TryptophanME2138116305-3.581204.0901
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+TryptophanME2138126305-3.581204.0902
TYROSINE (CAS# 60-18-4); (M+H)+TyrosineME2138136057-1.31181.0722
TYROSINE (CAS# 60-18-4); (M+NA)+TyrosineME2138146057-1.313181.0723
URATE (CAS# 69-93-2); (M+H)+Uric acidME2138151175-1.005168.0286
URIDINE (CAS# 58-96-8); (M+H)+UridineME2138166029-1.366244.0693
URIDINE (CAS# 58-96-8); (M+NA)+UridineME2138176029-1.369244.0685
UROCANATE (CAS# 104-98-3); (M+H)+Urocanic acidME213818736715-0.932138.0422
URSODIOL (CAS# 128-13-2); (M+NA)+Ursodeoxycholic acidME21381931401-21.696392.2919
VALINE (CAS# 72-18-4); (M+H)+ValineME2138206287-0.877117.0791
VALINE (CAS# 72-18-4); (M+NA)+ValineME2138216287-0.549117.0788
XANTHINE (CAS# 69-89-6); (M+H)+XanthineME2138221188-1.258152.0322
XANTHOSINE (CAS# 146-80-5); (M+H)+XanthosineME21382364959-2.307284.0757
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+Xanthurenic acidME2138245699-4.568205.0388
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+trans-ZeatinME213825449093-3.815219.1126


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
CerP 21:0; [M-H]-@2.12-ME213852--2.12-
CL 66:1; [M-2H](2-)@6.32CL 66:1ME213826--6.32-
CL 68:1; [M-2H](2-)@7.36CL 68:1ME213827--7.36-
CL 70:1; [M-2H](2-)@6.53CL 70:1ME213828--6.53-
CL 70:5; [M-2H](2-)@6.06CL 70:5ME213829--6.06-
CL 72:1; [M-2H](2-)@7.76CL 72:1ME213830--7.76-
CL 72:3; [M-2H](2-)@6.83CL 72:3ME213831--6.83-
CL 72:7; [M-2H](2-)@6.14CL 72:7ME213832--6.14-
CL 74:1; [M-2H](2-)@6.80CL 74:1ME213833--6.8-
CL 74:3; [M-2H](2-)@5.64CL 74:3ME213834--6.36-
CL 74:3; [M-2H](2-)@6.36CL 74:3ME213835--6.36-
CL 74:5; [M-2H](2-)@6.46CL 74:5ME213836--6.46-
CL 76:10; [M-2H](2-)@6.67CL 76:10ME213837--6.67-
CL 76:12; [M-2H](2-)@6.67CL 76:12ME213838--6.67-
CL 76:3; [M-2H](2-)@7.14CL 76:3ME213839--7.14-
CL 76:6; [M-2H](2-)@6.67CL 76:6ME213840--6.67-
CL 76:7; [M-2H](2-)@6.79CL 76:7ME213841--6.79-
CL 76:8; [M-2H](2-)@6.86CL 76:8ME213842--6.86-
CL 78:11; [M-2H](2-)@6.17CL 78:11ME213843--6.17-
CL 78:3; [M-2H](2-)@7.08CL 78:3ME213844--7.57-
CL 78:3; [M-2H](2-)@7.57CL 78:3ME213845--7.57-
CL 78:4; [M-2H](2-)@7.08CL 78:4ME213846--7.08-
CL 78:5; [M-2H](2-)@7.31CL 78:5ME213847--7.31-
CL 78:7; [M-2H](2-)@6.71CL 78:7ME213848--6.71-
CL 82:15; [M-2H](2-)@6.04CL 82:15ME213849--6.04-
CL 82:9; [M-2H](2-)@6.39CL 82:9ME213850--6.39-
CL 86:15; [M-2H](2-)@6.55CL 86:15ME213851--6.55-
lysoPE 16:0; [M-H]-@1.76LPE 16:0ME213989--1.76-
lysoPE 16:1; [M-H]-@1.33LPE 16:1ME213990--1.33-
lysoPE 18:0; [M-H]-@2.56LPE 18:0ME213991--2.56-
lysoPE 18:1; [M-H]-@1.93LPE 18:1ME213992--1.93-
lysoPE 18:2; [M-H]-@1.45LPE 18:2ME213993--1.45-
lysoPE 20:3; [M-H]-@1.70LPE 20:3ME213994--1.7-
lysoPE 20:4; [M-H]-@1.42LPE 20:4ME213995--1.42-
lysoPE 20:5; [M-H]-@1.13LPE 20:5ME213996--1.13-
lysoPE 22:4; [M-H]-@1.96LPE 22:4ME213997--1.96-
lysoPE 22:5; [M-H]-@1.64LPE 22:5ME213998--1.64-
lysoPE 22:6; [M-H]-@1.36LPE 22:6ME213999--1.36-
PA 34:0; [M-H]-@7.68PA 34:0ME213853--7.68-
PA 36:1; [M-H]-@6.81PA 36:1ME213854--6.81-
PA 38:3; [M-H]-@7.02PA 38:3ME213855--7.02-
PA 40:4; [M-H]-@6.87PA 40:4ME213856--6.87-
PA 41:4; [M-H]-@6.57PA 41:4ME213857--6.57-
PC 19:2; [M-Ac-H]-@1.43PC 19:2ME213858--1.43-
PC 26:0; [M-Ac-H]-@4.59PC 26:0ME213859--4.59-
PC 28:0; [M-Ac-H]-@5.36PC 28:0ME213860--5.36-
PC 28:1; [M-Ac-H]-@4.81PC 28:1ME213861--4.81-
PC 30:0; [M-Ac-H]-@6.06PC 30:0ME213862--6.06-
PC 30:1; [M-Ac-H]-@5.52PC 30:1ME213863--5.52-
PC 30:2; [M-Ac-H]-@5.00PC 30:2ME213864--5-
PC 31:0; [M-Ac-H]-@6.32PC 31:0ME213865--6.32-
PC 31:1; [M-Ac-H]-@5.86PC 31:1ME213866--6.55-
PC 31:1; [M-Ac-H]-@6.55PC 31:1ME213867--6.55-
PC 32:0; [M-Ac-H]-@6.69PC 32:0ME213868--6.69-
PC 32:1; [M-Ac-H]-@6.18PC 32:1ME213869--6.18-
PC 32:2; [M-Ac-H]-@5.70PC 32:2ME213870--5.7-
PC 32:3; [M-Ac-H]-@5.26PC 32:3ME213871--5.26-
PC 33:0; [M-Ac-H]-@7.07PC 33:0ME213872--7.07-
PC 33:1; [M-Ac-H]-@6.64PC 33:1ME213873--6.64-
PC 33:2; [M-Ac-H]-@6.07PC 33:2ME213874--6.07-
PC 33:3; [M-Ac-H]-@5.84PC 33:3ME213875--5.84-
PC 34:1; [M-Ac-H]-@6.75PC 34:1ME213876--6.75-
PC 34:2; [M-Ac-H]-@4.49PC 34:2ME213877--6.31-
PC 34:2; [M-Ac-H]-@6.31PC 34:2ME213878--6.31-
PC 34:3; [M-Ac-H]-@5.88PC 34:3ME213879--5.88-
PC 34:4; [M-Ac-H]-@5.63PC 34:4ME213880--5.63-
PC 34:5; [M-Ac-H]-@5.24PC 34:5ME213881--5.24-
PC 35:0; [M-Ac-H]-@7.12PC 35:0ME213882--7.12-
PC 35:1; [M-Ac-H]-@7.17PC 35:1ME213883--7.17-
PC 35:2; [M-Ac-H]-@6.69PC 35:2ME213884--6.69-
PC 35:3; [M-Ac-H]-@6.24PC 35:3ME213885--6.24-
PC 35:4; [M-Ac-H]-@6.05PC 35:4ME213886--6.05-
PC 35:5; [M-Ac-H]-@5.60PC 35:5ME213887--5.6-
PC 36:0; [M-Ac-H]-@7.88PC 36:0ME213888--7.88-
PC 36:1; [M-Ac-H]-@7.38PC 36:1ME213889--7.38-
PC 36:2; [M-Ac-H]-@6.94PC 36:2ME213890--6.94-
PC 36:3; [M-Ac-H]-@6.49PC 36:3ME213891--6.49-
PC 36:4; [M-Ac-H]-@6.16PC 36:4ME213893--7.52-
PC 36:4; [M-Ac-H]-@7.52PC 36:4ME213892--7.52-
PC 36:5; [M-Ac-H]-@5.76PC 36:5ME213894--5.76-
PC 36:6; [M-Ac-H]-@5.52PC 36:6ME213895--5.52-
PC 37:1; [M-Ac-H]-@7.67PC 37:1ME213896--7.67-
PC 37:2; [M-Ac-H]-@7.32PC 37:2ME213897--7.32-
PC 37:3; [M-Ac-H]-@6.95PC 37:3ME213898--6.95-
PC 37:4; [M-Ac-H]-@6.72PC 37:4ME213899--6.72-
PC 37:5; [M-Ac-H]-@6.15PC 37:5ME213900--6.15-
PC 37:6; [M-Ac-H]-@5.93PC 37:6ME213901--5.93-
PC 38:1; [M-Ac-H]-@7.90PC 38:1ME213902--7.9-
PC 38:2; [M-Ac-H]-@7.55PC 38:2ME213903--7.55-
PC 38:3; [M-Ac-H]-@7.18PC 38:3ME213904--7.18-
PC 38:4; [M-Ac-H]-@6.83PC 38:4ME213905--6.83-
PC 38:5; [M-Ac-H]-@6.47PC 38:5ME213906--6.47-
PC 38:6; [M-Ac-H]-@6.12PC 38:6ME213907--6.12-
PC 38:7; [M-Ac-H]-@5.63PC 38:7ME213908--5.63-
PC 39:3; [M-Ac-H]-@7.46PC 39:3ME213909--7.46-
PC 39:4; [M-Ac-H]-@7.31PC 39:4ME213910--7.31-
PC 39:5; [M-Ac-H]-@6.71PC 39:5ME213911--6.71-
PC 39:6; [M-Ac-H]-@6.61PC 39:6ME213912--6.61-
PC 40:1; [M-Ac-H]-@8.45PC 40:1ME213913--8.45-
PC 40:2; [M-Ac-H]-@8.20PC 40:2ME213914--8.2-
PC 40:3; [M-Ac-H]-@7.67PC 40:3ME213915--7.67-
PC 40:4; [M-Ac-H]-@7.41PC 40:4ME213916--7.41-
PC 40:5; [M-Ac-H]-@7.13PC 40:5ME213917--7.13-
PC 40:6; [M-Ac-H]-@6.78PC 40:6ME213918--6.78-
PC 40:7; [M-Ac-H]-@6.31PC 40:7ME213919--6.31-
PC 40:8; [M-Ac-H]-@5.88PC 40:8ME213920--5.88-
PC 40:9; [M-Ac-H]-@5.54PC 40:9ME213921--5.54-
PC 42:10; [M-Ac-H]-@5.81PC 42:10ME213922--5.81-
PC 42:2; [M-Ac-H]-@8.73PC 42:2ME213923--8.73-
PC 42:3; [M-Ac-H]-@8.17PC 42:3ME213924--8.17-
PC 42:4; [M-Ac-H]-@7.99PC 42:4ME213925--7.99-
PC 42:5; [M-Ac-H]-@7.55PC 42:5ME213926--7.55-
PC 44:12; [M-Ac-H]-@5.69PC 44:12ME21392724779134-5.69-
PC 44:3; [M-Ac-H]-@8.67PC 44:3ME213928--8.67-
PE 32:0; [M-H]-@6.81PE 32:0ME213929--6.81-
PE 32:1; [M-H]-@6.32PE 32:1ME213930--6.32-
PE 33:1; [M-H]-@6.63PE 33:1ME213931--6.63-
PE 33:2; [M-H]-@6.16PE 33:2ME213932--6.16-
PE 34:1; [M-H]-@6.92PE 34:1ME213933--6.92-
PE 34:2; [M-H]-@6.47PE 34:2ME213934--6.47-
PE 34:3; [M-H]-@6.11PE 34:3ME213935--6.11-
PE 35:0; [M-H]-@7.65PE 35:0ME213936--7.65-
PE 35:1; [M-H]-@7.17PE 35:1ME213937--7.17-
PE 35:2; [M-H]-@6.79PE 35:2ME213938--6.79-
PE 35:4; [M-H]-@6.14PE 35:4ME213939--6.14-
PE 36:0; [M-H]-@7.93PE 36:0ME213940--7.93-
PE 36:1; [M-H]-@6.78PE 36:1ME213941--7.5-
PE 36:1; [M-H]-@7.50PE 36:1ME213942--7.5-
PE 36:2; [M-H]-@6.35PE 36:2ME213943--7.05-
PE 36:2; [M-H]-@7.05PE 36:2ME213944--7.05-
PE 36:3; [M-H]-@6.60PE 36:3ME213945--6.6-
PE 36:4; [M-H]-@6.30PE 36:4ME213946--6.3-
PE 36:5; [M-H]-@6.10PE 36:5ME213947--6.1-
PE 36:6; [M-H]-@5.66PE 36:6ME213948--5.66-
PE 37:3; [M-H]-@6.97PE 37:3ME213949--6.97-
PE 37:4; [M-H]-@6.72PE 37:4ME213950--6.72-
PE 38:1; [M-H]-@7.41PE 38:1ME213951--7.41-
PE 38:2; [M-H]-@6.99PE 38:2ME213953--7.59-
PE 38:2; [M-H]-@7.59PE 38:2ME213952--7.59-
PE 38:3; [M-H]-@7.30PE 38:3ME213954--7.3-
PE 38:4; [M-H]-@6.99PE 38:4ME213955--6.99-
PE 38:5; [M-H]-@6.59PE 38:5ME213956--6.59-
PE 38:6; [M-H]-@6.23PE 38:6ME213957--6.23-
PE 39:4; [M-H]-@7.73PE 39:4ME213958--7.73-
PE 39:5; [M-H]-@6.86PE 39:5ME213959--6.86-
PE 39:6; [M-H]-@6.61PE 39:6ME213960--6.61-
PE 40:4; [M-H]-@7.49PE 40:4ME213961--7.49-
PE 40:5; [M-H]-@7.17PE 40:5ME213962--7.17-
PE 40:6; [M-H]-@6.97PE 40:6ME213963--6.97-
PE 40:7; [M-H]-@6.48PE 40:7ME213964--6.48-
PE 40:8; [M-H]-@6.06PE 40:8ME213965--6.06-
PG 33:0; [M-H]-@6.13PG 33:0ME213966--6.13-
PG 33:1; [M-H]-@6.58PG 33:1ME213967--6.58-
PG 34:2; [M-H]-@5.52PG 34:2ME213968--5.52-
PG 35:3; [M-H]-@6.36PG 35:3ME213969--6.36-
PG 36:0; [M-H]-@6.94PG 36:0ME213970--6.94-
PG 36:1; [M-H]-@6.50PG 36:1ME213971--6.5-
PG 36:2; [M-H]-@6.15PG 36:2ME213972--6.15-
PG 38:4; [M-H]-@6.13PG 38:4ME213973--6.13-
PI 34:1; [M-H]-@5.75PI 34:1ME213974--5.75-
PI 34:2; [M-H]-@5.33PI 34:2ME213975--5.33-
PI 36:1; [M-H]-@6.38PI 36:1ME213976--6.38-
PI 36:2; [M-H]-@5.95PI 36:2ME213977--5.95-
PI 36:3; [M-H]-@5.45PI 36:3ME213978--5.45-
PI 36:4; [M-H]-@5.31PI 36:4ME213979--5.31-
PI 38:3; [M-H]-@6.15PI 38:3ME213980--6.15-
PI 38:4; [M-H]-@5.95PI 38:4ME213981--5.95-
PI 38:5; [M-H]-@5.44PI 38:5ME213982--5.44-
PI 38:6; [M-H]-@5.19PI 38:6ME213983--5.19-
PI 40:5; [M-H]-@6.20PI 40:5ME213984--6.2-
PI 40:6; [M-H]-@5.87PI 40:6ME213985--5.87-
plasmenyl-PE 34:1; [M-H]-@7.24PE P-34:1ME214000--7.24-
plasmenyl-PE 34:2; [M-H]-@6.79PE P-34:2ME214001--6.79-
plasmenyl-PE 34:3; [M-H]-@6.46PE P-34:3ME214002--6.46-
plasmenyl-PE 36:1; [M-H]-@7.80PE P-36:1ME214003--7.8-
plasmenyl-PE 36:2; [M-H]-@7.38PE P-36:2ME214004--7.38-
plasmenyl-PE 36:3; [M-H]-@6.97PE P-36:3ME214005--6.97-
plasmenyl-PE 36:4; [M-H]-@6.72PE P-36:4ME214006--6.72-
plasmenyl-PE 36:5; [M-H]-@6.37PE P-36:5ME214007--6.37-
plasmenyl-PE 38:1; [M-H]-@8.31PE P-38:1ME214008--8.31-
plasmenyl-PE 38:2; [M-H]-@7.95PE P-38:2ME214009--7.95-
plasmenyl-PE 38:3; [M-H]-@7.60PE P-38:3ME214010--7.6-
plasmenyl-PE 38:4; [M-H]-@7.30PE P-38:4ME214011--7.3-
plasmenyl-PE 38:5; [M-H]-@6.84PE P-38:5ME214012--6.84-
plasmenyl-PE 38:6; [M-H]-@6.64PE P-38:6ME214013--6.64-
plasmenyl-PE 40:3; [M-H]-@8.13PE P-40:3ME214014--8.13-
plasmenyl-PE 40:4; [M-H]-@7.82PE P-40:4ME214015--7.82-
plasmenyl-PE 40:5; [M-H]-@7.39PE P-40:5ME214016--7.62-
plasmenyl-PE 40:5; [M-H]-@7.62PE P-40:5ME214017--7.62-
plasmenyl-PE 40:6; [M-H]-@7.21PE P-40:6ME214018--7.21-
plasmenyl-PE 42:4; [M-H]-@8.27PE P-42:4ME214019--8.27-
plasmenyl-PE 42:5; [M-H]-@7.94PE P-42:5ME214020--7.94-
plasmenyl-PE 42:6; [M-H]-@7.82PE P-42:6ME214021--7.82-
PS 36:1; [M-H]-@6.46PS 36:1ME213986--6.46-
PS 38:4; [M-H]-@6.06PS 38:4ME213987--6.06-
PS 38:5; [M-H]-@5.53PS 38:5ME213988--5.53-


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]+@11.03CE 16:0ME214022246520-11.03-
CE(16:1); [M+NH4]+@10.73CE 16:1ME214023--10.73-
CE(16:2); [M+NH4]+@10.55CE 16:2ME214024--10.55-
CE(17:1); [M+NH4]+@10.92CE 17:1ME21402524779603-10.92-
CE(18:0); [M+NH4]+@11.40CE 18:0ME214026118246-11.4-
CE(18:1); [M+NH4]+@10.96CE 18:1ME2140275283632-10.96-
CE(18:2); [M+NH4]+@10.86CE 18:2ME2140295287939-13.47-
CE(18:2); [M+NH4]+@12.94CE 18:2ME2140285287939-13.47-
CE(18:2); [M+NH4]+@13.47CE 18:2ME2140305287939-13.47-
CE(18:3); [M+NH4]+@10.54CE 18:3ME2140316436907-10.54-
CE(18:3); [M+NH4]+@9.25CE 18:3ME2140326436907-10.54-
CE(20:1); [M+NH4]+@11.32CE 20:1ME21403316061337-11.32-
CE(20:2); [M+NH4]+@11.13CE 20:2ME21403416061338-11.13-
CE(20:3); [M+NH4]+@10.87CE 20:3ME21403514274976-10.87-
CE(20:4); [M+NH4]+@10.66CE 20:4ME2140376479222-11.22-
CE(20:4); [M+NH4]+@11.22CE 20:4ME2140366479222-11.22-
CE(20:5); [M+NH4]+@10.42CE 20:5ME21403810372299-10.42-
CE(22:4); [M+NH4]+@10.93CE 22:4ME21403916061341-10.93-
CE(22:5); [M+NH4]+@10.75CE 22:5ME21404042608400-10.75-
CE(22:6); [M+NH4]+@10.53CE 22:6ME21404114274978-10.53-
DG 30:0; [M+NH4]+@7.44DG 30:0ME214042--7.44-
DG 30:3; [M+Li]+@1.80DG 30:3ME21404356936306-1.8-
DG 32:0; [M+NH4]+@7.95DG 32:0ME214044--7.95-
DG 32:1; [M+NH4]+@7.56DG 32:1ME214045--7.56-
DG 32:2; [M+NH4]+@7.12DG 32:2ME214046--7.12-
DG 33:0; [M+NH4]+@8.24DG 33:0ME214047--8.24-
DG 33:1; [M+NH4]+@7.74DG 33:1ME214048--7.74-
DG 33:2; [M+NH4]+@7.41DG 33:2ME214049--7.41-
DG 33:3; [M+NH4]+@3.15DG 33:3ME214050--3.15-
DG 34:0; [M+Li]+@8.48DG 34:0ME214051--8.48-
DG 34:0; [M+NH4]+@8.49DG 34:0ME214052--8.49-
DG 34:2; [M+NH4]+@7.64DG 34:2ME214053--7.64-
DG 34:3; [M+NH4]+@7.25DG 34:3ME214054--7.25-
DG 34:4; [M+NH4]+@7.06DG 34:4ME214055--7.06-
DG 34:5; [M+NH4]+@6.55DG 34:5ME214056--6.55-
DG 35:0; [M+NH4]+@8.70DG 35:0ME214057--8.7-
DG 35:1; [M+NH4]+@8.26DG 35:1ME214058--8.26-
DG 35:2; [M+NH4]+@7.91DG 35:2ME214059--7.91-
DG 35:3; [M+NH4]+@7.55DG 35:3ME214060--7.55-
DG 36:0; [M+Li]+@8.92DG 36:0ME214061--8.92-
DG 36:0; [M+NH4]+@8.96DG 36:0ME214062--8.96-
DG 36:1; [M+NH4]+@8.54DG 36:1ME214063--8.54-
DG 36:2; [M+NH4]+@8.11DG 36:2ME214064--8.11-
DG 36:3; [M+NH4]+@7.72DG 36:3ME214065--7.72-
DG 36:4; [M+NH4]+@7.44DG 36:4ME214066--7.44-
DG 36:5; [M+NH4]+@7.06DG 36:5ME214067--7.06-
DG 37:0; [M+NH4]+@9.15DG 37:0ME214068--9.15-
DG 37:1; [M+NH4]+@8.69DG 37:1ME214069--8.69-
DG 37:2; [M+NH4]+@8.41DG 37:2ME214070--8.41-
DG 37:3; [M+NH4]+@8.07DG 37:3ME214071--8.07-
DG 38:0; [M+NH4]+@9.20DG 38:0ME214072--9.2-
DG 38:1; [M+NH4]+@8.70DG 38:1ME214073--8.7-
DG 38:2; [M+NH4]+@8.56DG 38:2ME214074--8.56-
DG 38:3; [M+NH4]+@8.27DG 38:3ME214075--8.27-
DG 38:4; [M+NH4]+@8.02DG 38:4ME214076--8.02-
DG 38:5; [M+NH4]+@7.68DG 38:5ME214077--7.68-
DG 38:6; [M+NH4]+@7.33DG 38:6ME214078--7.33-
DG 38:7; [M+NH4]+@6.99DG 38:7ME214079--6.99-
DG 39:0; [M+NH4]+@9.52DG 39:0ME214080--9.52-
DG 40:0; [M+NH4]+@9.65DG 40:0ME214081--9.65-
DG 40:5; [M+NH4]+@8.10DG 40:5ME214082--8.1-
DG 40:6; [M+NH4]+@7.78DG 40:6ME214083--7.78-
DG 40:7; [M+NH4]+@7.59DG 40:7ME214084--7.59-
DG 40:8; [M+NH4]+@7.22DG 40:8ME214085--7.22-
DG 41:0; [M+NH4]+@9.84DG 41:0ME214086--9.84-
DG 42:0; [M+NH4]+@9.99DG 42:0ME214087--9.99-
DG 42:2; [M+NH4]+@8.56DG 42:2ME214088--8.56-
DG 42:5; [M+NH4]+@10.32DG 42:5ME214089--10.32-
DG 42:6; [M+NH4]+@10.11DG 42:6ME214091--10.11-
DG 42:6; [M+NH4]+@8.60DG 42:6ME214090--10.11-
lysoPC 14:0; [M+H]+@1.09LPC 14:0ME214517--1.09-
lysoPC 14:0; [M+Na]+@1.10LPC 14:0ME214518--1.1-
lysoPC 15:0; [M+H]+@1.30LPC 15:0ME21451924779458-1.3-
lysoPC 15:0; [M+Na]+@1.33LPC 15:0ME21452024779458-1.33-
lysoPC 16:0; [M+H]+@1.60LPC 16:0ME214521--1.6-
lysoPC 16:0; [M+Na]+@2.00LPC 16:0ME214522--2-
lysoPC 16:1; [M+H]+@1.20LPC 16:1ME214523--1.2-
lysoPC 16:1; [M+Na]+@1.25LPC 16:1ME214524--1.25-
lysoPC 17:0; [M+Na]+@2.34LPC 17:0ME21452524779463-2.34-
lysoPC 17:1; [M+H]+@1.49LPC 17:1ME214526--1.49-
lysoPC 18:0; [M+H]+@2.39LPC 18:0ME214527--2.94-
lysoPC 18:0; [M+H]+@2.94LPC 18:0ME214528--2.94-
lysoPC 18:0; [M+Na]+@2.31LPC 18:0ME214529--2.31-
lysoPC 18:1; [M+H]+@1.79LPC 18:1ME214530--1.79-
lysoPC 18:2; [M+H]+@1.34LPC 18:2ME214531--1.34-
lysoPC 18:2; [M+Na]+@1.22LPC 18:2ME214532--1.22-
lysoPC 18:3; [M+H]+@1.12LPC 18:3ME214533--1.12-
lysoPC 18:3; [M+Na]+@1.12LPC 18:3ME214534--1.12-
lysoPC 19:0; [M+H]+@2.91LPC 19:0ME21453524779472-2.91-
lysoPC 20:0; [M+H]+@3.36LPC 20:0ME21453624779473-3.36-
lysoPC 20:1; [M+H]+@2.60LPC 20:1ME214537--2.6-
lysoPC 20:1; [M+Na]+@1.92LPC 20:1ME214538--1.92-
lysoPC 20:2; [M+H]+@2.04LPC 20:2ME21453952924053-2.04-
lysoPC 20:3; [M+H]+@1.60LPC 20:3ME214540--1.6-
lysoPC 20:3; [M+Na]+@1.64LPC 20:3ME214541--1.64-
lysoPC 20:4; [M+H]+@1.30LPC 20:4ME214542--1.3-
lysoPC 20:5; [M+H]+@1.06LPC 20:5ME21454311757087-1.06-
lysoPC 22:0; [M+H]+@4.34LPC 22:0ME21454424779479-4.34-
lysoPC 22:1; [M+H]+@3.50LPC 22:1ME214545--3.5-
lysoPC 22:2; [M+H]+@2.88LPC 22:2ME21454652924059-2.88-
lysoPC 22:4; [M+H]+@1.89LPC 22:4ME21454752924039-1.89-
lysoPC 22:5; [M+H]+@1.53LPC 22:5ME214548--1.53-
lysoPC 22:5; [M+Na]+@1.56LPC 22:5ME214549--1.56-
lysoPC 22:6; [M+H]+@1.28LPC 22:6ME21455010415542-1.28-
lysoPC 22:6; [M+Na]+@1.27LPC 22:6ME21455110415542-1.27-
lysoPC 24:0; [M+H]+@5.20LPC 24:0ME21455224779481-5.2-
lysoPC 24:1; [M+H]+@4.38LPC 24:1ME21455353480477-4.38-
lysoPC 26:0; [M+H]+@6.05LPC 26:0ME214554--6.05-
lysoPE 16:0; [M+H]+@1.79LPE 16:0ME214555--1.79-
lysoPE 16:1; [M+H]+@1.23LPE 16:1ME214556--1.23-
lysoPE 18:0; [M+H]+@2.57LPE 18:0ME214557--2.57-
lysoPE 18:0; [M+Na]+@2.73LPE 18:0ME214558--2.73-
lysoPE 18:1; [M+H]+@1.91LPE 18:1ME214559--1.91-
lysoPE 18:2; [M+H]+@1.39LPE 18:2ME214560--1.39-
lysoPE 18:3; [M+H]+@1.15LPE 18:3ME214561--1.15-
lysoPE 20:0; [M+H]+@3.50LPE 20:0ME214562--3.5-
lysoPE 20:3; [M+H]+@1.65LPE 20:3ME214563--1.65-
lysoPE 20:4; [M+H]+@1.34LPE 20:4ME214564--1.34-
lysoPE 20:5; [M+H]+@1.14LPE 20:5ME214565--1.14-
lysoPE 22:4; [M+H]+@1.98LPE 22:4ME214566--1.98-
lysoPE 22:5; [M+H]+@1.60LPE 22:5ME214567--1.6-
lysoPE 22:6; [M+H]+@1.32LPE 22:6ME214568--1.32-
MG 16:0; [M+Li]+@2.82MG 16:0ME214092--2.82-
MG 16:0; [M+NH4]+@2.76MG 16:0ME214093--2.76-
MG 17:0; [M+Li]+@3.28MG 17:0ME214094107036-3.28-
MG 18:0; [M+Li]+@3.64MG 18:0ME21409524699-3.64-
MG 18:0; [M+NH4]+@3.77MG 18:0ME21409624699-3.77-
MG 18:1; [M+NH4]+@3.06MG 18:1ME214097--3.06-
MG 18:2; [M+NH4]+@1.03MG 18:2ME2140985283469-2.4-
MG 18:2; [M+NH4]+@2.40MG 18:2ME2140995283469-2.4-
MG 19:0; [M+NH4]+@4.26MG 19:0ME214100--4.26-
MG 20:0; [M+NH4]+@4.73MG 20:0ME2141013246944-4.73-
MG 22:0; [M+NH4]+@5.63MG 22:0ME214102--5.63-
PA 34:0; [M+Na]+@7.66PA 34:0ME214103--9.65-
PA 34:0; [M+Na]+@8.87PA 34:0ME214105--9.65-
PA 34:0; [M+Na]+@9.65PA 34:0ME214104--9.65-
PC 15:0; [M+H]+@1.30PC 15:0ME214106--1.3-
PC 19:1; [M+H]+@1.88PC 19:1ME21410724778752-1.88-
PC 19:2; [M+H]+@1.37PC 19:2ME214108--1.37-
PC 21:4; [M+H]+@1.37PC 21:4ME214109--1.37-
PC 24:0; [M+H]+@3.76PC 24:0ME214110--3.76-
PC 26:0; [M+H]+@4.57PC 26:0ME214111--4.57-
PC 26:1; [M+H]+@4.15PC 26:1ME214112--4.15-
PC 28:0; [M+H]+@5.32PC 28:0ME214113--5.32-
PC 28:0; [M+Na]+@5.32PC 28:0ME214114--5.32-
PC 28:1; [M+H]+@4.78PC 28:1ME214115--4.78-
PC 28:2; [M+H]+@2.33PC 28:2ME214116--2.33-
PC 29:0; [M+H]+@5.58PC 29:0ME214117--5.58-
PC 30:0; [M+H]+@5.96PC 30:0ME214118--5.96-
PC 30:0; [M+Na]+@6.06PC 30:0ME214119--6.06-
PC 30:1; [M+H]+@5.49PC 30:1ME214120--5.49-
PC 30:1; [M+Na]+@5.52PC 30:1ME214121--5.52-
PC 30:2; [M+H]+@4.96PC 30:2ME214122--4.96-
PC 30:3; [M+H]+@4.47PC 30:3ME214123--4.47-
PC 31:0; [M+H]+@6.26PC 31:0ME214124--6.26-
PC 31:0; [M+Na]+@5.62PC 31:0ME214125--5.62-
PC 31:1; [M+H]+@5.82PC 31:1ME214127--6.91-
PC 31:1; [M+H]+@6.91PC 31:1ME214126--6.91-
PC 32:0; [M+H]+@6.62PC 32:0ME214128--6.62-
PC 32:0; [M+Na]+@6.66PC 32:0ME214129--6.66-
PC 32:1; [M+H]+@6.27PC 32:1ME214130--6.27-
PC 32:1; [M+Na]+@6.15PC 32:1ME214131--6.15-
PC 32:2; [M+H]+@5.62PC 32:2ME214132--5.62-
PC 32:2; [M+Na]+@5.70PC 32:2ME214133--5.7-
PC 32:3; [M+H]+@5.25PC 32:3ME214134--6.04-
PC 32:3; [M+H]+@6.04PC 32:3ME214135--6.04-
PC 32:4; [M+H]+@5.49PC 32:4ME214136--5.49-
PC 32:5; [M+H]+@4.79PC 32:5ME214137--4.79-
PC 33:0; [M+H]+@6.86PC 33:0ME214138--6.86-
PC 33:2; [M+H]+@5.99PC 33:2ME214139--5.99-
PC 33:2; [M+Na]+@6.05PC 33:2ME214140--6.05-
PC 33:3; [M+H]+@5.65PC 33:3ME214141--5.65-
PC 33:4; [M+H]+@5.95PC 33:4ME214142--5.95-
PC 33:5; [M+H]+@5.71PC 33:5ME214143--5.71-
PC 34:1; [M+H]+@6.69PC 34:1ME214145--8.74-
PC 34:1; [M+H]+@8.74PC 34:1ME214144--8.74-
PC 34:2; [M+H]+@3.56PC 34:2ME214146--3.56-
PC 34:2; [M+Na]+@8.23PC 34:2ME214147--8.23-
PC 34:3; [M+H]+@5.83PC 34:3ME214148--6.67-
PC 34:3; [M+H]+@6.67PC 34:3ME214149--6.67-
PC 34:3; [M+Na]+@5.80PC 34:3ME214150--5.8-
PC 34:4; [M+H]+@5.52PC 34:4ME214151--5.52-
PC 34:4; [M+Na]+@5.66PC 34:4ME214152--5.66-
PC 34:5; [M+H]+@5.23PC 34:5ME214153--5.71-
PC 34:5; [M+H]+@5.71PC 34:5ME214154--5.71-
PC 35:0; [M+H]+@7.48PC 35:0ME214155--7.48-
PC 35:1; [M+H]+@6.97PC 35:1ME214156--6.97-
PC 35:2; [M+H]+@6.55PC 35:2ME214157--6.55-
PC 35:3; [M+H]+@6.12PC 35:3ME214158--6.12-
PC 35:4; [M+H]+@5.91PC 35:4ME214159--6.89-
PC 35:4; [M+H]+@6.89PC 35:4ME214160--6.89-
PC 35:5; [M+H]+@5.61PC 35:5ME214161--5.61-
PC 36:0; [M+H]+@7.85PC 36:0ME214162--7.85-
PC 36:1; [M+H]+@7.35PC 36:1ME214163--7.35-
PC 36:2; [M+H]+@6.87PC 36:2ME214164--6.87-
PC 36:2; [M+Na]+@8.91PC 36:2ME214165--8.91-
PC 36:3; [M+H]+@5.21PC 36:3ME214166--8.74-
PC 36:3; [M+H]+@6.43PC 36:3ME214167--8.74-
PC 36:3; [M+H]+@8.74PC 36:3ME214168--8.74-
PC 36:4; [M+H]+@5.01PC 36:4ME214169--6.07-
PC 36:4; [M+H]+@6.07PC 36:4ME214170--6.07-
PC 36:4; [M+Na]+@6.04PC 36:4ME214171--6.04-
PC 36:5; [M+H]+@5.82PC 36:5ME214172--5.82-
PC 36:5; [M+Na]+@5.72PC 36:5ME214173--5.72-
PC 36:6; [M+H]+@5.33PC 36:6ME214174--5.33-
PC 36:6; [M+Na]+@5.56PC 36:6ME214175--5.56-
PC 36:7; [M+H]+@5.41PC 36:7ME214176--5.41-
PC 37:1; [M+H]+@6.72PC 37:1ME214178--7.67-
PC 37:1; [M+H]+@7.67PC 37:1ME214177--7.67-
PC 37:2; [M+H]+@7.16PC 37:2ME214179--7.16-
PC 37:4; [M+H]+@6.56PC 37:4ME214180--6.56-
PC 37:5; [M+H]+@6.15PC 37:5ME214181--6.15-
PC 37:5; [M+Na]+@6.09PC 37:5ME214182--6.09-
PC 37:6; [M+H]+@5.85PC 37:6ME214183--5.85-
PC 37:7; [M+H]+@6.47PC 37:7ME214184--6.47-
PC 38:1; [M+H]+@6.47PC 38:1ME214185--7.92-
PC 38:1; [M+H]+@7.92PC 38:1ME214186--7.92-
PC 38:2; [M+H]+@5.89PC 38:2ME214187--5.89-
PC 38:3; [M+H]+@7.14PC 38:3ME214188--7.14-
PC 38:4; [M+H]+@6.83PC 38:4ME214189--6.83-
PC 38:5; [M+H]+@6.41PC 38:5ME214190--6.41-
PC 38:6; [M+H]+@6.21PC 38:6ME214192--8.78-
PC 38:6; [M+H]+@8.78PC 38:6ME214191--8.78-
PC 38:6; [M+Na]+@6.13PC 38:6ME214193--6.13-
PC 38:7; [M+H]+@5.61PC 38:7ME214194--5.61-
PC 38:7; [M+Na]+@5.61PC 38:7ME214195--5.61-
PC 38:8; [M+H]+@5.34PC 38:8ME214196--5.34-
PC 38:9; [M+H]+@5.50PC 38:9ME214197--5.5-
PC 39:0; [M+H]+@7.75PC 39:0ME214198--7.75-
PC 39:1; [M+H]+@7.31PC 39:1ME214199--7.31-
PC 39:2; [M+H]+@7.29PC 39:2ME214200--7.29-
PC 39:3; [M+H]+@6.75PC 39:3ME214201--7.47-
PC 39:3; [M+H]+@7.47PC 39:3ME214202--7.47-
PC 39:4; [M+H]+@7.07PC 39:4ME214203--7.07-
PC 39:5; [M+H]+@6.23PC 39:5ME214205--6.73-
PC 39:5; [M+H]+@6.73PC 39:5ME214204--6.73-
PC 39:6; [M+H]+@6.44PC 39:6ME214206--6.44-
PC 39:7; [M+H]+@6.12PC 39:7ME214207--6.12-
PC 39:8; [M+H]+@5.90PC 39:8ME214208--5.9-
PC 40:0; [M+H]+@8.87PC 40:0ME214209--8.87-
PC 40:10; [M+H]+@5.63PC 40:10ME214212--5.63-
PC 40:1; [M+H]+@7.04PC 40:1ME214211--8.47-
PC 40:1; [M+H]+@8.47PC 40:1ME214210--8.47-
PC 40:2; [M+H]+@6.47PC 40:2ME214214--8.14-
PC 40:2; [M+H]+@8.14PC 40:2ME214213--8.14-
PC 40:3; [M+H]+@7.77PC 40:3ME214215--7.77-
PC 40:4; [M+H]+@7.04PC 40:4ME214216--7.38-
PC 40:4; [M+H]+@7.38PC 40:4ME214217--7.38-
PC 40:4; [M+Na]+@7.29PC 40:4ME214218--7.29-
PC 40:5; [M+H]+@7.01PC 40:5ME214219--7.01-
PC 40:5; [M+Na]+@7.16PC 40:5ME214220--7.16-
PC 40:6; [M+H]+@6.84PC 40:6ME214221--6.84-
PC 40:6; [M+Na]+@6.87PC 40:6ME214222--6.87-
PC 40:7; [M+H]+@6.27PC 40:7ME214223--6.27-
PC 40:7; [M+Na]+@6.14PC 40:7ME214224--6.14-
PC 40:8; [M+H]+@5.85PC 40:8ME214225--5.85-
PC 40:8; [M+Na]+@5.85PC 40:8ME214226--5.85-
PC 40:9; [M+H]+@5.48PC 40:9ME214228--6.06-
PC 40:9; [M+H]+@6.06PC 40:9ME214227--6.06-
PC 41:0; [M+H]+@8.32PC 41:0ME214229--8.32-
PC 41:3; [M+H]+@7.12PC 41:3ME214230--7.12-
PC 41:5; [M+H]+@6.62PC 41:5ME214231--6.62-
PC 41:6; [M+H]+@7.13PC 41:6ME214232--7.13-
PC 42:10; [M+H]+@5.81PC 42:10ME214234--5.81-
PC 42:10; [M+Na]+@5.75PC 42:10ME214235--5.75-
PC 42:11; [M+H]+@5.83PC 42:11ME214236--5.83-
PC 42:1; [M+H]+@8.95PC 42:1ME214233--8.95-
PC 42:2; [M+H]+@8.67PC 42:2ME214237--8.67-
PC 42:3; [M+H]+@8.29PC 42:3ME214238--8.29-
PC 42:4; [M+H]+@8.02PC 42:4ME214239--8.02-
PC 42:5; [M+H]+@5.96PC 42:5ME214240--7.56-
PC 42:5; [M+H]+@7.56PC 42:5ME214241--7.56-
PC 42:6; [M+H]+@7.35PC 42:6ME214242--7.35-
PC 42:7; [M+H]+@6.86PC 42:7ME214243--7.36-
PC 42:7; [M+H]+@7.36PC 42:7ME214244--7.36-
PC 42:8; [M+H]+@6.46PC 42:8ME214246--7.08-
PC 42:8; [M+H]+@7.08PC 42:8ME214245--7.08-
PC 42:9; [M+H]+@6.04PC 42:9ME214248--6.87-
PC 42:9; [M+H]+@6.87PC 42:9ME214247--6.87-
PC 43:2; [M+H]+@7.94PC 43:2ME214249--7.94-
PC 43:3; [M+H]+@7.62PC 43:3ME214250--7.62-
PC 43:4; [M+H]+@9.21PC 43:4ME214251--9.21-
PC 44:12; [M+Na]+@5.68PC 44:12ME21425224779134-5.68-
PC 44:2; [M+H]+@9.19PC 44:2ME214253--9.19-
PC 44:3; [M+H]+@8.66PC 44:3ME214254--8.66-
PC 44:4; [M+H]+@8.59PC 44:4ME214255--8.59-
PC 44:5; [M+H]+@8.10PC 44:5ME214256--8.1-
PC 45:5; [M+H]+@7.65PC 45:5ME214257--7.65-
PC 47:5; [M+H]+@8.34PC 47:5ME214258--8.34-
PC 47:6; [M+H]+@7.81PC 47:6ME214259--7.81-
PE 21:4; [M+H]+@1.45PE 21:4ME214260--1.45-
PE 32:0; [M+Na]+@6.08PE 32:0ME214261--6.08-
PE 32:1; [M+H]+@6.29PE 32:1ME214262--6.29-
PE 34:0; [M+Na]+@7.37PE 34:0ME214263--7.37-
PE 34:1; [M+H]+@6.90PE 34:1ME214264--6.9-
PE 34:2; [M+H]+@6.44PE 34:2ME214265--6.44-
PE 34:2; [M+Na]+@6.05PE 34:2ME214266--6.05-
PE 34:3; [M+H]+@6.08PE 34:3ME214267--6.08-
PE 35:2; [M+H]+@6.64PE 35:2ME214268--6.64-
PE 36:0; [M+H]+@7.89PE 36:0ME214269--7.89-
PE 36:1; [M+H]+@7.47PE 36:1ME214270--7.47-
PE 36:2; [M+H]+@7.08PE 36:2ME214271--7.08-
PE 36:3; [M+H]+@6.59PE 36:3ME214272--6.59-
PE 36:3; [M+Na]+@6.35PE 36:3ME214273--6.35-
PE 36:4; [M+H]+@6.41PE 36:4ME214274--6.41-
PE 36:5; [M+H]+@6.07PE 36:5ME214275--6.07-
PE 37:4; [M+H]+@6.74PE 37:4ME214276--6.74-
PE 38:3; [M+H]+@7.29PE 38:3ME214277--7.29-
PE 38:4; [M+H]+@7.06PE 38:4ME214278--7.06-
PE 38:4; [M+Na]+@7.08PE 38:4ME214279--7.08-
PE 38:5; [M+H]+@6.53PE 38:5ME214280--6.53-
PE 38:6; [M+H]+@6.33PE 38:6ME214281--6.33-
PE 38:7; [M+H]+@5.69PE 38:7ME214282--5.69-
PE 39:6; [M+H]+@6.66PE 39:6ME214283--6.66-
PE 40:6; [M+H]+@6.96PE 40:6ME214284--6.96-
plasmenyl-PC 18:0; [M+Na]+@1.85PC P-18:0ME214569--1.85-
plasmenyl-PC 20:0; [M+Na]+@2.60PC P-20:0ME214570--2.6-
plasmenyl-PC 34:1; [M+Na]+@6.04PC P-34:1ME214571--6.04-
plasmenyl-PC 35:2; [M+Na]+@6.04PC P-35:2ME214572--6.04-
plasmenyl-PC 36:3; [M+Na]+@6.73PC P-36:3ME214573--6.73-
plasmenyl-PC 36:4; [M+Na]+@6.64PC P-36:4ME214574--6.64-
plasmenyl-PC 38:3; [M+Na]+@7.15PC P-38:3ME214575--7.15-
plasmenyl-PC 38:4; [M+Na]+@6.90PC P-38:4ME214576--6.9-
plasmenyl-PC 40:0; [M+Na]+@8.48PC P-40:0ME214577--8.48-
plasmenyl-PC 40:6; [M+Na]+@6.66PC P-40:6ME214578--6.66-
plasmenyl-PC 42:5; [M+Na]+@7.52PC P-42:5ME214579--7.52-
plasmenyl-PC 44:4; [M+Na]+@8.41PC P-44:4ME214580--8.41-
plasmenyl-PE 34:1; [M+H]+@7.23PE P-34:1ME214581--7.23-
plasmenyl-PE 34:2; [M+H]+@6.80PE P-34:2ME214582--6.8-
plasmenyl-PE 34:3; [M+H]+@6.42PE P-34:3ME214583--6.42-
plasmenyl-PE 36:1; [M+H]+@7.78PE P-36:1ME214584--7.78-
plasmenyl-PE 36:2; [M+H]+@7.40PE P-36:2ME214585--7.4-
plasmenyl-PE 36:2; [M+Na]+@7.43PE P-36:2ME214586--7.43-
plasmenyl-PE 36:3; [M+H]+@7.03PE P-36:3ME214587--7.03-
plasmenyl-PE 36:4; [M+H]+@6.72PE P-36:4ME214588--6.72-
plasmenyl-PE 36:5; [M+H]+@6.41PE P-36:5ME214589--6.41-
plasmenyl-PE 38:1; [M+H]+@8.28PE P-38:1ME214590--8.28-
plasmenyl-PE 38:2; [M+H]+@7.95PE P-38:2ME214591--7.95-
plasmenyl-PE 38:3; [M+H]+@7.58PE P-38:3ME214592--7.58-
plasmenyl-PE 38:4; [M+H]+@7.31PE P-38:4ME214593--7.31-
plasmenyl-PE 38:4; [M+Na]+@7.36PE P-38:4ME214594--7.36-
plasmenyl-PE 38:5; [M+H]+@6.81PE P-38:5ME214595--6.81-
plasmenyl-PE 38:6; [M+H]+@6.63PE P-38:6ME214596--6.63-
plasmenyl-PE 40:4; [M+H]+@7.81PE P-40:4ME214597--7.81-
plasmenyl-PE 40:5; [M+H]+@7.44PE P-40:5ME214598--7.44-
plasmenyl-PE 40:6; [M+H]+@7.25PE P-40:6ME214599--7.25-
plasmenyl-PE 42:4; [M+H]+@8.27PE P-42:4ME214600--8.27-
plasmenyl-PE 42:5; [M+H]+@7.92PE P-42:5ME214601--7.92-
plasmenyl-PE 42:6; [M+H]+@7.78PE P-42:6ME214602--7.78-
PS 34:0; [M+H]+@6.28PS 34:0ME214285--6.28-
PS 36:1; [M+H]+@6.74PS 36:1ME214286--6.74-
PS 36:2; [M+Na]+@5.60PS 36:2ME214287--5.6-
SM 21:0; [M]+@1.87SM 18:1;O2/21:0ME214288--1.87-
SM 21:1; [M]+@1.46SM 18:1;O2/21:1ME214289--1.46-
SM 28:1; [M]+@3.63SM 18:1;O2/28:1ME214290--3.63-
SM 29:1; [M]+@4.00SM 18:1;O2/29:1ME214291--4-
SM 30:0; [M]+@4.76SM 30:0;O2ME21429246891775-4.76-
SM 30:1; [M]+@4.38SM 30:1;O2ME214294--4.38-
SM 30:1; [M+Na]+@4.43SM 30:1;O2ME214293--4.43-
SM 31:1; [M]+@4.79SM 31:1;O2ME214295--4.79-
SM 32:0; [M]+@5.49SM 32:0;O2ME21429744260138-5.49-
SM 32:0; [M+Na]+@5.52SM 32:0;O2ME21429644260138-5.52-
SM 32:1; [M]+@5.15SM 32:1;O2ME21429911433862-5.58-
SM 32:1; [M]+@5.58SM 32:1;O2ME21430011433862-5.58-
SM 32:1; [M+Na]+@5.17SM 32:1;O2ME21429811433862-5.17-
SM 32:2; [M]+@4.56SM 32:2;O2ME214302--4.56-
SM 32:2; [M+Na]+@4.60SM 32:2;O2ME214301--4.6-
SM 33:0; [M]+@5.84SM 33:0;O2ME214303--5.84-
SM 33:1; [M]+@5.53SM 33:1;O2ME21430552931139-5.53-
SM 33:1; [M+Na]+@5.55SM 33:1;O2ME21430452931139-5.55-
SM 33:2; [M]+@5.10SM 33:2;O2ME214306--5.1-
SM 34:0; [M]+@6.14SM 34:0;O2ME2143079939965-6.14-
SM 34:1; [M]+@5.83SM 34:1;O2ME214309--7.45-
SM 34:1; [M]+@7.45SM 34:1;O2ME214310--7.45-
SM 34:1; [M+Na]+@5.89SM 34:1;O2ME214308--5.89-
SM 34:2; [M]+@5.39SM 34:2;O2ME214312--5.39-
SM 34:2; [M+Na]+@5.34SM 34:2;O2ME214311--5.34-
SM 35:0; [M]+@6.52SM 35:0;O2ME214313--6.52-
SM 35:1; [M+Na]+@6.13SM 35:1;O2ME214314--6.13-
SM 35:2; [M]+@5.72SM 35:2;O2ME214316--5.72-
SM 35:2; [M+Na]+@5.76SM 35:2;O2ME214315--5.76-
SM 36:0; [M]+@6.83SM 36:0;O2ME21431752931167-6.83-
SM 36:1; [M]+@6.52SM 36:1;O2ME21431944260139-6.52-
SM 36:1; [M+Na]+@6.61SM 36:1;O2ME21431844260139-6.61-
SM 36:2; [M]+@6.06SM 36:2;O2ME214321--6.06-
SM 36:2; [M+Na]+@6.11SM 36:2;O2ME214320--6.11-
SM 37:0; [M]+@7.14SM 37:0;O2ME214322--7.14-
SM 37:1; [M]+@6.90SM 37:1;O2ME214323--6.9-
SM 37:2; [M]+@6.44SM 37:2;O2ME214324--6.44-
SM 38:0; [M]+@7.46SM 38:0;O2ME21432544260131-7.46-
SM 38:1; [M]+@7.24SM 38:1;O2ME214327--7.24-
SM 38:1; [M+Na]+@7.24SM 38:1;O2ME214326--7.24-
SM 38:2; [M]+@6.71SM 38:2;O2ME214328--6.71-
SM 38:4; [M]+@5.72SM 38:4;O2ME214329--5.72-
SM 38:5; [M]+@6.13SM 38:5;O2ME214330--6.13-
SM 39:1; [M]+@7.51SM 39:1;O2ME214332--7.51-
SM 39:1; [M+Na]+@7.57SM 39:1;O2ME214331--7.57-
SM 39:2; [M]+@7.06SM 39:2;O2ME214333--7.06-
SM 40:0; [M]+@8.02SM 40:0;O2ME21433444260132-8.02-
SM 40:1; [M]+@7.74SM 40:1;O2ME214336--7.74-
SM 40:1; [M+Na]+@7.77SM 40:1;O2ME214335--7.77-
SM 40:2; [M]+@7.31SM 40:2;O2ME214338--7.31-
SM 40:2; [M+Na]+@7.33SM 40:2;O2ME214337--7.33-
SM 40:4; [M]+@6.36SM 40:4;O2ME214339--6.36-
SM 40:5; [M]+@5.98SM 40:5;O2ME214340--5.98-
SM 41:0; [M]+@7.94SM 41:0;O2ME214341--7.94-
SM 41:1; [M]+@8.01SM 41:1;O2ME214343--8.01-
SM 41:1; [M+Na]+@8.07SM 41:1;O2ME214342--8.07-
SM 41:2; [M]+@7.61SM 41:2;O2ME214345--7.61-
SM 41:2; [M+Na]+@7.63SM 41:2;O2ME214344--7.63-
SM 41:4; [M]+@6.68SM 41:4;O2ME214346--6.68-
SM 42:1; [M]+@8.31SM 42:1;O2ME21434844260133-8.31-
SM 42:1; [M+Na]+@8.36SM 42:1;O2ME21434744260133-8.36-
SM 42:2; [M]+@7.76SM 42:2;O2ME214350--7.76-
SM 42:2; [M+Na]+@7.83SM 42:2;O2ME214349--7.83-
SM 42:4; [M]+@6.91SM 42:4;O2ME214351--6.91-
SM 42:5; [M]+@6.56SM 42:5;O2ME214352--7.38-
SM 42:5; [M]+@7.38SM 42:5;O2ME214353--7.38-
SM 43:1; [M]+@8.49SM 43:1;O2ME214355--8.49-
SM 43:1; [M+Na]+@8.53SM 43:1;O2ME214354--8.53-
SM 43:2; [M]+@7.88SM 43:2;O2ME214357--8.26-
SM 43:2; [M]+@8.26SM 43:2;O2ME214358--8.26-
SM 43:2; [M+Na]+@8.04SM 43:2;O2ME214356--8.04-
SM 43:5; [M]+@6.85SM 43:5;O2ME214359--6.85-
SM 44:1; [M]+@8.79SM 44:1;O2ME214361--8.79-
SM 44:1; [M+Na]+@8.76SM 44:1;O2ME214360--8.76-
SM 44:2; [M]+@8.26SM 44:2;O2ME214363--8.51-
SM 44:2; [M]+@8.51SM 44:2;O2ME214364--8.51-
SM 44:2; [M+Na]+@8.31SM 44:2;O2ME214362--8.31-
TG 40:0; [M+Na]+@9.55TG 40:0ME214366--9.55-
TG 40:0; [M+NH4]+@9.55TG 40:0ME214365--9.55-
TG 40:1; [M+NH4]+@9.26TG 40:1ME214367--9.26-
TG 42:0; [M+Na]+@9.86TG 42:0ME214369--9.86-
TG 42:0; [M+NH4]+@9.82TG 42:0ME214368--9.82-
TG 42:1; [M+NH4]+@9.59TG 42:1ME214370--9.59-
TG 42:2; [M+NH4]+@9.31TG 42:2ME214371--9.31-
TG 44:1; [M+NH4]+@9.87TG 44:1ME214372--9.87-
TG 44:2; [M+NH4]+@9.65TG 44:2ME214373--9.65-
TG 46:0; [M+Na]+@10.38TG 46:0ME214375--10.38-
TG 46:0; [M+NH4]+@10.36TG 46:0ME214374--10.36-
TG 46:1; [M+NH4]+@10.14TG 46:1ME214376--10.14-
TG 46:2; [M+NH4]+@9.90TG 46:2ME214377--9.9-
TG 46:3; [M+NH4]+@9.69TG 46:3ME214378--9.69-
TG 48:0; [M+Na]+@10.36TG 48:0ME214380--10.36-
TG 48:0; [M+NH4]+@10.59TG 48:0ME214379--10.59-
TG 48:1; [M+Na]+@10.42TG 48:1ME214382--10.42-
TG 48:1; [M+NH4]+@10.37TG 48:1ME214381--10.37-
TG 48:2; [M+NH4]+@10.18TG 48:2ME214383--10.18-
TG 48:3; [M+NH4]+@9.94TG 48:3ME214384--9.94-
TG 49:0; [M+NH4]+@10.74TG 49:0ME214385--10.74-
TG 49:1; [M+NH4]+@10.54TG 49:1ME214386--10.54-
TG 49:2; [M+NH4]+@10.33TG 49:2ME214387--10.33-
TG 49:3; [M+NH4]+@10.12TG 49:3ME214388--10.12-
TG 49:4; [M+NH4]+@9.91TG 49:4ME214389--9.91-
TG 50:0; [M+Na]+@10.85TG 50:0ME214391--10.85-
TG 50:0; [M+NH4]+@10.80TG 50:0ME214390--10.8-
TG 50:1; [M+Na]+@10.34TG 50:1ME214393--10.34-
TG 50:1; [M+NH4]+@10.59TG 50:1ME214392--10.59-
TG 50:2; [M+Na]+@10.19TG 50:2ME214395--10.19-
TG 50:2; [M+NH4]+@10.40TG 50:2ME214394--10.4-
TG 50:3; [M+NH4]+@10.21TG 50:3ME214396--10.21-
TG 50:4; [M+NH4]+@10.00TG 50:4ME214397--10-
TG 50:5; [M+NH4]+@9.80TG 50:5ME214398--9.8-
TG 51:1; [M+NH4]+@10.77TG 51:1ME214399--10.77-
TG 51:2; [M+NH4]+@10.56TG 51:2ME214400--10.56-
TG 51:3; [M+NH4]+@10.37TG 51:3ME214401--10.37-
TG 51:4; [M+NH4]+@10.18TG 51:4ME214402--10.18-
TG 51:5; [M+NH4]+@10.00TG 51:5ME214403--10-
TG 51:6; [M+NH4]+@9.80TG 51:6ME214404--9.8-
TG 52:0; [M+Na]+@11.14TG 52:0ME214406--11.14-
TG 52:0; [M+NH4]+@11.09TG 52:0ME214405--11.09-
TG 52:1; [M+Na]+@10.78TG 52:1ME214408--10.78-
TG 52:1; [M+NH4]+@10.83TG 52:1ME214407--10.83-
TG 52:2; [M+NH4]+@10.58TG 52:2ME214409--10.58-
TG 52:3; [M+Na]+@10.30TG 52:3ME214412--10.3-
TG 52:3; [M+NH4]+@10.44TG 52:3ME214411--10.44-
TG 52:3; [M+NH4]+@9.22TG 52:3ME214410--10.44-
TG 52:4; [M+NH4]+@10.16TG 52:4ME214413--10.25-
TG 52:4; [M+NH4]+@10.25TG 52:4ME214414--10.25-
TG 52:5; [M+NH4]+@10.04TG 52:5ME214415--10.04-
TG 52:6; [M+Na]+@9.87TG 52:6ME214417--9.87-
TG 52:6; [M+NH4]+@9.89TG 52:6ME214416--9.89-
TG 52:7; [M+NH4]+@9.74TG 52:7ME214418--9.74-
TG 53:0; [M+NH4]+@11.21TG 53:0ME214419--11.21-
TG 53:1; [M+NH4]+@10.99TG 53:1ME214420--10.99-
TG 53:2; [M+NH4]+@10.81TG 53:2ME214421--10.81-
TG 53:3; [M+NH4]+@10.60TG 53:3ME214422--10.6-
TG 53:4; [M+NH4]+@10.42TG 53:4ME214423--10.42-
TG 53:5; [M+NH4]+@10.22TG 53:5ME214424--10.22-
TG 53:6; [M+NH4]+@10.08TG 53:6ME214425--10.08-
TG 53:7; [M+NH4]+@9.87TG 53:7ME214426--9.87-
TG 54:0; [M+NH4]+@11.33TG 54:0ME214427--11.33-
TG 54:1; [M+NH4]+@10.99TG 54:1ME214428--10.99-
TG 54:2; [M+NH4]+@10.81TG 54:2ME214429--10.81-
TG 54:3; [M+Na]+@10.73TG 54:3ME214433--10.73-
TG 54:3; [M+NH4]+@10.70TG 54:3ME214431--12.72-
TG 54:3; [M+NH4]+@12.72TG 54:3ME214432--12.72-
TG 54:3; [M+NH4]+@9.61TG 54:3ME214430--12.72-
TG 54:4; [M+NH4]+@10.50TG 54:4ME214434--10.5-
TG 54:5; [M+NH4]+@10.31TG 54:5ME214435--10.31-
TG 54:6; [M+Na]+@10.12TG 54:6ME214437--10.12-
TG 54:6; [M+NH4]+@10.11TG 54:6ME214436--10.11-
TG 54:7; [M+NH4]+@9.97TG 54:7ME214438--9.97-
TG 54:8; [M+NH4]+@9.80TG 54:8ME214439--9.8-
TG 54:9; [M+NH4]+@9.62TG 54:9ME214440--9.62-
TG 55:0; [M+NH4]+@11.49TG 55:0ME214441--11.49-
TG 55:1; [M+NH4]+@11.25TG 55:1ME214442--11.25-
TG 55:2; [M+NH4]+@10.99TG 55:2ME214443--10.99-
TG 55:3; [M+NH4]+@10.87TG 55:3ME214444--10.87-
TG 55:4; [M+NH4]+@10.64TG 55:4ME214445--10.64-
TG 55:5; [M+NH4]+@10.44TG 55:5ME214446--10.44-
TG 55:6; [M+NH4]+@10.35TG 55:6ME214447--10.35-
TG 55:7; [M+NH4]+@10.18TG 55:7ME214448--10.18-
TG 55:8; [M+NH4]+@10.02TG 55:8ME214449--10.02-
TG 55:9; [M+NH4]+@9.78TG 55:9ME214450--9.78-
TG 56:0; [M+NH4]+@11.63TG 56:0ME214451--11.63-
TG 56:10; [M+NH4]+@9.73TG 56:10ME214453--9.73-
TG 56:11; [M+NH4]+@9.62TG 56:11ME214454--9.62-
TG 56:1; [M+NH4]+@11.20TG 56:1ME214452--11.2-
TG 56:2; [M+NH4]+@11.15TG 56:2ME214455--11.15-
TG 56:3; [M+NH4]+@10.95TG 56:3ME214456--10.95-
TG 56:4; [M+NH4]+@10.77TG 56:4ME214457--10.77-
TG 56:5; [M+Na]+@10.63TG 56:5ME214459--10.63-
TG 56:5; [M+NH4]+@10.62TG 56:5ME214458--10.62-
TG 56:6; [M+NH4]+@10.46TG 56:6ME214460--10.46-
TG 56:7; [M+NH4]+@10.29TG 56:7ME214461--10.29-
TG 56:8; [M+NH4]+@10.09TG 56:8ME214462--10.09-
TG 56:9; [M+NH4]+@9.90TG 56:9ME214463--9.9-
TG 57:0; [M+NH4]+@11.77TG 57:0ME214464--11.77-
TG 57:1; [M+NH4]+@11.52TG 57:1ME214465--11.52-
TG 57:2; [M+NH4]+@11.30TG 57:2ME214466--11.3-
TG 57:4; [M+NH4]+@10.97TG 57:4ME214467--10.97-
TG 57:6; [M+NH4]+@10.59TG 57:6ME214468--10.59-
TG 57:7; [M+NH4]+@10.41TG 57:7ME214469--10.41-
TG 57:8; [M+NH4]+@10.25TG 57:8ME214470--10.25-
TG 57:9; [M+NH4]+@10.05TG 57:9ME214471--10.05-
TG 58:0; [M+NH4]+@11.91TG 58:0ME214472--11.91-
TG 58:10; [M+NH4]+@10.02TG 58:10ME214474--10.02-
TG 58:11; [M+NH4]+@9.84TG 58:11ME214475--9.84-
TG 58:12; [M+NH4]+@9.66TG 58:12ME214476--9.66-
TG 58:1; [M+NH4]+@11.65TG 58:1ME214473--11.65-
TG 58:2; [M+NH4]+@11.31TG 58:2ME214477--11.43-
TG 58:2; [M+NH4]+@11.43TG 58:2ME214478--11.43-
TG 58:3; [M+NH4]+@11.20TG 58:3ME214479--11.2-
TG 58:4; [M+NH4]+@11.00TG 58:4ME214480--11-
TG 58:5; [M+NH4]+@10.88TG 58:5ME214481--10.88-
TG 58:6; [M+NH4]+@10.67TG 58:6ME214482--10.67-
TG 58:7; [M+NH4]+@10.53TG 58:7ME214483--10.53-
TG 58:8; [M+NH4]+@10.38TG 58:8ME214484--10.38-
TG 58:9; [M+NH4]+@10.22TG 58:9ME214485--10.22-
TG 59:10; [M+NH4]+@10.16TG 59:10ME214487--10.16-
TG 59:11; [M+NH4]+@9.97TG 59:11ME214488--9.97-
TG 59:1; [M+NH4]+@11.78TG 59:1ME214486--11.78-
TG 59:2; [M+NH4]+@11.56TG 59:2ME214489--11.56-
TG 59:3; [M+NH4]+@11.32TG 59:3ME214490--11.32-
TG 59:7; [M+Na]+@5.39TG 59:7ME214491--5.39-
TG 60:10; [M+NH4]+@10.32TG 60:10ME214493--10.32-
TG 60:11; [M+NH4]+@10.16TG 60:11ME214494--10.16-
TG 60:12; [M+NH4]+@9.96TG 60:12ME214495--9.96-
TG 60:13; [M+Na]+@9.76TG 60:13ME214497--9.76-
TG 60:13; [M+NH4]+@9.79TG 60:13ME214496--9.79-
TG 60:14; [M+NH4]+@9.58TG 60:14ME214498--9.58-
TG 60:1; [M+NH4]+@11.97TG 60:1ME214492--11.97-
TG 60:2; [M+NH4]+@11.68TG 60:2ME214499--11.68-
TG 60:3; [M+NH4]+@11.44TG 60:3ME214500--11.44-
TG 60:4; [M+NH4]+@11.23TG 60:4ME214501--11.23-
TG 60:5; [M+NH4]+@11.07TG 60:5ME214502--11.07-
TG 60:6; [M+NH4]+@10.90TG 60:6ME214503--10.9-
TG 60:8; [M+NH4]+@10.59TG 60:8ME214504--10.59-
TG 60:9; [M+NH4]+@10.43TG 60:9ME214505--10.43-
TG 61:2; [M+NH4]+@11.83TG 61:2ME214506--11.83-
TG 62:11; [M+NH4]+@10.35TG 62:11ME214507--10.35-
TG 62:12; [M+NH4]+@10.18TG 62:12ME214508--10.18-
TG 62:13; [M+NH4]+@10.00TG 62:13ME214509--10-
TG 62:14; [M+NH4]+@9.87TG 62:14ME214510--9.87-
TG 62:16; [M+NH4]+@9.54TG 62:16ME214511--9.54-
TG 62:2; [M+NH4]+@12.00TG 62:2ME214512--12-
TG 62:6; [M+NH4]+@11.32TG 62:6ME214513--11.32-
TG 64:17; [M+NH4]+@9.64TG 64:17ME2145149546534-9.64-
TG 64:7; [M+NH4]+@11.34TG 64:7ME214515--11.34-
TG 66:18; [M+NH4]+@9.76TG 66:18ME2145169546569-9.76-


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