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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
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-11-DeoxycortisolME195601440707-15.489346.213
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-11-DeoxycortisolME195602440707-15.486346.2151
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-PC 16:0_18:0ME19560518631368-25.587761.5893
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-PC 16:0_18:0ME19560618631368-25.771761.5939
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-LPC 16:0ME195603460602-22.298495.3368
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-LPC 16:0ME195604460602-22.236495.3321
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-LPE 18:0ME1956079547068-22.706481.3158
1-HYDROXY-2-NAPHTHOATE (CAS# 86-48-6); (M-H)-1-Hydroxy-2-naphthoateME1955956844-15.839188.0473
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-1-MethyladenosineME19559627476-3.054281.1116
1-METHYLURIC ACID (CAS# 708-79-2); (2M-H)-1-Methyluric acidME19559769726-2.246182.0433
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-1-Methyluric acidME19559869726-2.245182.0439
1-METHYLXANTHINE (CAS# 6136-37-4); (M-H)-1-MethylxanthineME19559980220-2.559166.0493
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-MG 18:1ME1956005283468-22.706356.2913
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-LPC 20:0ME19561624779473-22.798551.3902
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-LPC 20:0ME19561724779473-23.063551.3914
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-SM 18:1;O2/24:0ME19561844260127-27.993814.692
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M-H)-CiliatineME195593339-0.998125.023
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-2-Deoxy-glucoseME195610439268-0.722164.0684
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-2-Deoxy-glucoseME195611439268-0.706164.067
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)-DeoxyguanosineME195608187790-1.655267.0943
2'-DEOXYINOSINE (CAS# 890-38-0); (M+CL)-DeoxyinosineME19560965058-1.802252.0872
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (...2-Hydroxy-3-methylbutyric acidME195612853180-3.533118.063
2-HYDROXYBUTYRATE (CAS# ); (M-H)-2-Hydroxybutyric acidME19561311266-1.701104.0474
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-2-Methylglutaric acidME19561412046-3.627146.058
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-Citraconic acidME195615643798-2.446130.0268
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-78-3); (M-...3-(2-Hydroxyphenyl)propanoic acidME195619873-7.922166.0634
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)...Hydroxyphenyllactic acidME1956209378-3.848182.0572
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...3-Amino-4-hydroxybenzoic acidME19562165083-0.95153.0419
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...Dehydroepiandrosterone sulfateME19562812594-15.144368.1659
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)...3-Hydroxymethylglutaric acidME1956221662-1.598162.0518
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-3-HydroxybenzaldehydeME195623101-5.008122.0371
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-Resorcinol monoacetateME19562412122-7.92152.0465
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-Methylglutaric acidME19562512284-3.626146.058
3-METHYLXANTHINE (CAS# 1076-22-8); (M-H)-3-MethylxanthineME19562670639-2.528166.0496
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M+CL)-NitrotyrosineME19562765124-3.018226.0575
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-4-Acetamidobutanoic acidME19562918189-1.838145.0734
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)-Paracetamol sulfateME19563083939-2.394231.02
4-COUMARATE (CAS# 501-98-4); (M-H)-4-Hydroxycinnamic acidME195631637542-7.208164.0472
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...Kynurenic acidME1956323845-4.951189.0414
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-4-HydroxybenzaldehydeME195633126-5.01122.0371
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-4-Hydroxybenzoic acidME195634135-4.135138.031
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-p-Hydroxyphenylacetic acidME195635127-4.895152.0465
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-KetoleucineME19563670-4.727130.063
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-KetoleucineME19563770-4.727130.063
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-4-NitrocatecholME1956383505109-5.451155.0212
4-NITROPHENOL (CAS# 100-02-7); (M-H)-4-NitrophenolME195639980-7.106139.0268
4-NITROPHENYL PHOSPHATE (CAS# 330-13-2); (M-H)-4-Nitrophenyl phosphateME195640378-2.568218.9921
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-4-Pyridoxic acidME1956416723-1.923183.0528
5'-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-5'-DeoxyadenosineME195642439182-2.558251.1
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-5-Hydroxyindoleacetic acidME1956461826-4.07191.0594
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)-5-HydroxyomeprazoleME195645119560-12.42361.1096
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (2M-H)-5-Hydroxy-tryptophanME195647439280-2.148220.0831
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-5'-MethylthioadenosineME195643439176-4.542297.089
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-5'-MethylthioadenosineME195644439176-4.558297.0883
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-Pyroglutamic acidME1956487405-1.207129.0425
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-5-ValerolactoneME19564910953-1.645100.0526
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M-H)-AcetaminophenME1956501983-3.127151.0627
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-Adipic acidME195651196-3.626146.058
AHBA (CAS# 76045-71-1); (M-H)-3-Amino-5-hydroxybenzoic acidME195652127115-0.95153.0419
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]AlloseME195653439507-1.598180.0635
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H...2-Hydroxyisobutyric acidME195654440873-1.701104.0474
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-Oxoglutaric acidME19565551-0.929146.0222
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-alpha-Linolenic acidME1956565280934-22.887278.2221
ARABITOL (CAS# 7643-75-6); (M+HCOO)-ArabitolME19565794154-0.75152.069
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-Arachidic acidME19565810467-23.631312.3026
ARACHIDONATE (CAS# 506-32-1); (M-H)-Arachidonic acidME195659444899-22.738304.2405
AZELAIC ACID (CAS# 123-99-9); (M-H)-Azelaic acidME1956602266-10.805188.1045
BEHENIC ACID (CAS# 112-85-6); (M-H)-Behenic acidME1956618215-24.137340.3331
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-BenzaldehydeME195662240-4.895106.041
BENZOATE (CAS# 65-85-0); (M-H)-Benzoic acidME195663243-5.624122.037
BETA-CAROTENE (CAS# 7235-40-7); (M-H)-beta-CaroteneME1956645280489-23.384536.4366
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]MaltoseME195665439186-0.717342.1148
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-MaltoseME195666439186-0.699342.1164
BILIVERDIN (CAS# 114-25-0); (M-H)-BiliverdinME1956675280353-18.682582.2458
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)...Bis-gamma-glutamylcystineME19566890657696-1.362498.1126
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19566946891735-22.949643.5007
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19567046891735-23.019643.5003
CATECHOL (CAS# 120-80-9); (M-H)-PyrocatecholME195671289-2.501110.0368
CELLOBIOSE (CAS# 528-50-7); (M+CL)-CellobioseME195672294-0.699342.1164
CHOLATE (CAS# 81-25-4); (M-H)-Cholic acidME195673221493-20.417408.2853
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-cs-Gondoic acidME1956745282768-23.297310.2872
CIS-ACONITATE (CAS# 585-84-2); (M-H)-cis-Aconitic acidME195675643757-1.188174.0169
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-cis-Vaccenic acidME1956765282761-22.967282.2562
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-cis-ZeatinME195677688597-3.952219.1121
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-cis-ZeatinME195678688597-3.951219.1123
CITRAMALATE (CAS# 2306-22-1); (M-H)-Citramalic acidME195679441696-1.44148.0372
CITRATE (CAS# 77-92-9); (M-H)-Citric acidME195680311-1.052192.0277
CITRULLINE (CAS# 372-75-8); (M-H)-CitrullineME1956819750-0.683175.0954
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-CorticosteroneME1956825753-15.203346.2122
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-CorticosteroneME1956835753-15.457346.2118
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+CL)-Cortisol 21-acetateME1956865744-15.408404.2161
CORTISOL (CAS# 50-23-7); (M+CL)-CortisolME1956845754-13.885362.2093
CORTISOL (CAS# 50-23-7); (M+HCOO)-CortisolME1956855754-13.885362.2093
CORTISONE (CAS# 53-06-5); (M+CL)-CortisoneME195687222786-13.463360.1933
CORTISONE (CAS# 53-06-5); (M+HCOO)-CortisoneME195688222786-13.462360.1934
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+H...Cycloheptanecarboxylic acidME19568915091-10.805142.0989
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-ArabinoseME19569066308-0.708150.0526
DECANOATE (CAS# 334-48-5); (M-H)-Capric acidME1956972969-19.911172.1458
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-Dehydroascorbic acidME195698210328-0.9174.0172
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-DeoxyadenosineME19569913730-1.825251.1009
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-Deoxycholic acidME195700222528-21.761392.2918
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-DeoxyuridineME19570113712-1.647228.0738
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-DeoxyuridineME19570213712-1.577228.0729
D-GALACTOSAMINE (CAS# 7535-00-4); (M-H)-[-H2O]GalactosamineME1956913034366-0.744179.0784
D-LYXOSE (CAS# 1114-34-7); (M-H)-LyxoseME19569365550-0.712150.0533
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-LyxoseME19569265550-0.707150.0524
D-MANNOSAMINE (CAS# 14307-02-9); (M-H)-[-H2O]-ME1956943034366-0.744179.0784
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-Docosahexaenoic acidME195703445580-22.73328.2404
D-PSICOSE (CAS# 551-68-8); (M+CL)-PsicoseME19569590008-0.697180.0634
D-TAGATOSE (CAS# 87-81-0); (M+CL)-D-TagatoseME19569690008-0.697180.0634
ELAIDIC ACID (CAS# 112-79-8); (M-H)-Elaidic acidME195704637517-22.967282.2562
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)--ME195705115196-19.886480.3451
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)...-ME195706115196-19.887480.3455
ERUCIC ACID (CAS# 112-86-7); (M-H)-cis-Erucic acidME1957075281116-23.704338.3184
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-Ethylmalonic acidME19570811756-2.572132.0416
FERULATE (CAS# 1135-24-6); (M-H)-trans-Ferulic acidME195709445858-7.629194.0576
FRUCTOSE (CAS# 57-48-7); (M+CL)-FructoseME1957105984-0.697180.0634
FUMARATE (CAS# 110-17-8); (M-H)-Fumaric acidME195711444972-1.147116.0118
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-Galacturonic acidME19571284740-0.691194.0421
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-gamma-Linolenic acidME1957135280933-22.887278.2221
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)--ME1957146466-8.554346.1404
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)--ME1957156466-8.555346.1446
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)--ME1957166466-8.556346.1412
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]Glucaric acidME19571733037-0.998210.0391
GLUCONIC ACID (CAS# 526-95-4); (M-H)-Gluconic acidME19571810690-0.705196.0577
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]GlucoseME1957195793-0.699180.0641
GLUCOSE (CAS# 50-99-7); (M+CL)-GlucoseME1957205793-0.697180.0634
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-Glucuronic acidME19572194715-0.691194.0421
GLUTAMATE (CAS# 56-86-0); (M-H)-Glutamic acidME19572233032-0.732147.0542
GLUTAMINE (CAS# 56-85-9); (M-H)-GlutamineME1957235961-0.684146.0686
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]GlyceraldehydeME19572479014-1.60690.0311
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-Glycocholic acidME19572510140-18.939465.3081
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)-Glycolithocholic acidME195726115245-21.705433.3219
GUANOSINE (CAS# 118-00-3); (M+CL)-GuanosineME1957276802-1.824283.0891
GUANOSINE (CAS# 118-00-3); (M-H)-GuanosineME1957286802-1.812283.0906
HEPTADECANOATE (CAS# 506-12-7); (M-H)-Margaric acidME19572910465-23.049270.2559
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)-Cerotic acidME19573010469-25.719396.3964
HIPPURATE (CAS# 495-69-2); (M-H)-Hippuric acidME195731464-4.842179.058
HOMOGENTISATE (CAS# 451-13-8); (M-H)-Homogentisic acidME195732780-2.53168.0425
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-Hyodeoxycholic acidME1957335283820-22.911392.2939
HYPOXANTHINE (CAS# 68-94-0); (M-H)-HypoxanthineME195734790-1.002136.0375
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (2M-H...-ME19573610444113-13.075236.1041
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+CL...-ME19573710444113-13.021236.1039
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)...-ME19573810444113-13.08236.1043
IBUPROFEN (CAS# 15687-27-1); (M-H)-IbuprofenME195735114864-18.963206.1303
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)-Indoleacetic acidME195739802-8.468175.062
INOSINE (CAS# 58-63-9); (M+CL)-InosineME1957406021-1.819268.0808
INOSINE (CAS# 58-63-9); (M-H)-InosineME1957416021-1.823268.0807
ISOCITRATE (CAS# 320-77-4); (M-H)-Isocitric acidME1957425318532-1.003192.0274
ISOLEUCINE (CAS# 73-32-5); (M-H)-IsoleucineME1957436306-1.609131.0937
ITACONATE (CAS# 97-65-4); (M-H)-Itaconic acidME195744811-1.798130.0278
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)--ME1957455281166-13.226210.1245
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)--ME1957465281166-13.226210.1256
KYNURENINE (CAS# 343-65-7); (M-H)-KynurenineME195747161166-2.252208.0838
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)--ME195755227-5.415138.0445
LACTOSE (CAS# 63-42-3); (M+CL)-LactoseME195756440995-0.699342.1164
LACTOSE (CAS# 63-42-3); (M-H)-LactoseME195757440995-0.698342.1149
LAURIC ACID (CAS# 143-07-7); (M-H)-Lauric acidME1957583893-21.812200.1775
LEUCINE (CAS# 328-39-2); (M-H)-LeucineME1957596106-1.609131.0937
L-GULONATE (CAS# 6322-07-2); (M-H)-Gulonic acidME195749152304-0.704196.0577
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]Gulonic acidME195748152304-0.716196.0592
L-HISTIDINE (CAS# 71-00-1); (M-H)-HistidineME1957506274-0.69155.0684
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-Lignoceric acidME19576011197-24.805368.3647
LINOLEATE (CAS# 60-33-3); (M-H)-Linoleic acidME1957615280450-22.776280.2407
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)-Lithocholic acidME1957629903-22.092376.2941
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-RhamnoseME19575125310-0.722164.0684
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-RhamnoseME19575325310-0.926164.0684
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)-RhamnoseME19575225310-0.706164.067
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)--ME19575416217285-3.667206.0843
LUMICHROME (CAS# 1086-80-2); (M-H)-LumichromeME1957635326566-11.001242.0805
MALATE (CAS# 97-67-6); (M-H)-Malic acidME195764222656-0.88134.0224
MALEIC ACID (CAS# 110-16-7); (M-H)-Maleic acidME195765444266-1.037116.012
MALTOSE (CAS# 69-79-4); (M+CL)-MaltoseME195766439186-0.699342.1164
MANDELIC ACID (CAS# 611-71-2); (M-H)-Mandelic acidME19576711914-5.859152.047
MANNITOL (CAS# 69-65-8); (M-H)-MannitolME1957686251-0.715182.0778
MELIBIOSE (CAS# 585-99-9); (M+CL)-MelibioseME195769440658-0.699342.1164
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)...Methyl beta-D-galactosideME19577094214-0.924194.0801
METHYLMALONATE (CAS# 516-05-2); (M-H)-Methylmalonic acidME195771487-1.348118.0268
MEVALONIC ACID (CAS# 674-26-0); (M-H)-Mevalonic acidME195772439230-1.628148.0723
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-Monomethyl glutaric acidME19577373917-3.626146.058
MYRISTIC ACID (CAS# 544-63-8); (M-H)-Myristic acidME19577411005-22.498228.2089
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-Myristoleic acidME1957755281119-22.099226.1932
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-N-Acetyl-D-glucosamineME195776446101-0.707221.0919
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-N-AcetylmethionineME195778448580-4.096191.0606
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-N-AcetylserineME19577965249-0.748147.0532
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-N-Acetyl-mannosamineME19577753477792-0.707221.0919
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-N-Acetyl-D-galactosamineME19578235717-0.707221.0919
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)-N-AcetylglycineME1957831097-0.942117.0428
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-N-AcetylalanineME19578088064-1.53131.0583
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-N-Acetylaspartic acidME19578165065-0.962175.0467
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-N-Acetylneuraminic acidME195784439197-0.932309.1048
NAPROXEN (CAS# 22204-53-1); (M-H)-NaproxenME195791156391-15.831230.0939
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (2M-H...N-BenzyloxycarbonylglycineME19578514349-8.546209.067
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (M-H)...N-BenzyloxycarbonylglycineME19578614349-8.658209.0703
NERVONIC ACID (CAS# 506-37-6); (M-H)-Nervonic acidME1957925281120-24.204366.3497
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M-H)-N-EthylmaleimideME1957874362-3.44125.0474
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-N-Methyl-D-aspartic acidME1957884376-0.732147.0542
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M-H)-N-Methyl-glutamic acidME195789439377-0.744161.0679
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)-N-Oleoyl glycineME1957906436908-22.383339.2744
NORLEUCINE (CAS# 327-57-1); (M-H)-NorleucineME19579321236-1.609131.0937
OLEIC ACID (CAS# 112-80-1); (M-H)-Oleic acidME195794445639-22.967282.2562
OMEPRAZOLE (CAS# 73590-58-6); (M-H)-OmeprazoleME1957954594-11.248345.1146
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)-Omeprazole sulfoneME195796145900-12.42361.1096
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME19579783944-2.286327.0954
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME19579883944-2.287327.0954
PALATINOSE (CAS# 343336-76-5); (M+CL)-PalatinoseME195799439559-0.699342.1164
PALMITATE (CAS# 57-10-3); (M-H)-Palmitic acidME195800985-22.895256.2405
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-Palmitoleic acidME195801445638-22.622254.2248
PANTOTHENATE (CAS# 79-83-4); (M+CL)-Pantothenic acidME1958026613-3.301219.1092
PANTOTHENATE (CAS# 79-83-4); (M-H)-Pantothenic acidME1958036613-3.297219.1104
PARAXANTHINE (CAS# 611-59-6); (M-H)-ParaxanthineME1958044687-4.485180.0645
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-Phenylacetic acidME195805999-3.848136.0517
PHENYLALANINE (CAS# 63-91-2); (M-H)-PhenylalanineME1958066140-2.551165.0784
PHTHALATE (CAS# 88-99-3); (M-H)-Phthalic acidME1958071017-5.418166.0265
PHYTANATE (CAS# 14721-66-5); (M-H)-Phytanic acidME19580810380830-23.304312.3015
PINITOL (CAS# 10284-63-6); (M+CL)-PinitolME195809164619-0.924194.0801
PROPYNOATE (CAS# 471-25-0); (M-H)-Propynoic acidME19581010110-0.87170.0048
PTERIN (CAS# 2236-60-4); (M-H)-PterinME19581173000-1.834163.0487
PURINE (CAS# 120-73-0); (M-H)-PurineME1958121044-1.585120.0436
QUINATE (CAS# 77-95-2); (M-H)-Quinic acidME1958136508-0.718192.0635
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)...MG 14:0ME19581479050-22.474302.247
RAFFINOSE (CAS# 512-69-6); (M+CL)-RaffinoseME195815439242-0.713504.1686
RESORCINOL MONOACETATE (CAS# 102-29-4); (M-H)-Resorcinol monoacetateME1958165055-7.514152.0467
RETINOATE (CAS# 302-79-4); (M-H)-Retinoic acidME195817444795-22.339300.2104
RIBOFLAVIN (CAS# 83-88-5); (M-H)-RiboflavinME195818493570-7.602376.1392
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-...3-Methyl-2-oxovaleric acidME19559447-4.32130.0629
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)-S-AdenosylhomocysteineME195819439155-1.37384.1209
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-S-AdenosylhomocysteineME195820439155-1.431384.1245
SALICYLATE (CAS# 69-72-7); (M-H)-Salicylic acidME195821338-8.284138.0316
SALICYLURIC ACID (CAS# 487-54-7); (M-H)-Salicyluric acidME19582210253-6.273195.0527
SEBACIC ACID (CAS# 111-20-6); (M-H)-Sebacic acidME1958235192-13.032202.1202
STACHYOSE (CAS# 54261-98-2); (M+CL)-StachyoseME195824439531-0.717666.2204
STEARATE (CAS# 57-11-4); (M-H)-Stearic acidME1958255281-23.224284.2719
SUBERIC ACID (CAS# 505-48-6); (M-H)-Suberic acidME19582610457-8.31174.089
SUCCINATE (CAS# 110-15-6); (M-H)-Succinic acidME1958271110-1.344118.0268
SUCROSE (CAS# 57-50-1); (M+CL)-SucroseME1958285988-0.699342.1164
TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)-Taurolithocholic acidME195829439763-21.578483.2992
TEREPHTHALATE (CAS# 100-21-0); (M-H)-Terephthalic acidME1958307489-5.864166.0254
THEOPHYLLINE (CAS# 58-55-9); (M-H)-TheophyllineME1958312153-4.485180.0645
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]ThreonineME1958326288-0.755119.0593
THYROXINE (CAS# 51-48-9); (M-H)-ThyroxineME1958335819-16.288776.6876
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-trans-Aconitic acidME195834444212-1.141174.0168
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-trans-Vaccenic acidME1958355281127-22.967282.2562
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)-Melissic acidME19583610471-28.837452.4598
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-1,2,3-Propanetricarboxylic acidME19583714925-1.172176.0324
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME19583814925-1.232176.0325
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)-Tricosanoic acidME19583917085-24.421354.3487
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)-Tridecylic acidME19584012530-22.214214.193
TRYPTOPHAN (CAS# 73-22-3); (2M-H)-TryptophanME1958416305-3.667204.0879
TRYPTOPHAN (CAS# 73-22-3); (M-H)-TryptophanME1958426305-3.667204.0885
TYROSINE (CAS# 60-18-4); (M-H)-TyrosineME1958436057-1.368181.0733
URACIL (CAS# 66-22-8); (M-H)-UracilME1958441174-0.705112.0279
URATE (CAS# 69-93-2); (M-H)-Uric acidME1958451175-1.039168.0285
URIDINE (CAS# 58-96-8); (M+CL)-UridineME1958466029-1.371244.0697
URIDINE (CAS# 58-96-8); (M-H)-UridineME1958486029-1.374244.0697
URIDINE (CAS# 58-96-8); (M+HCOO)-UridineME1958476029-1.376244.0697
URSODIOL (CAS# 128-13-2); (M-H)-Ursodeoxycholic acidME19585031401-21.745392.292
URSODIOL (CAS# 128-13-2); (M+HCOO)-Ursodeoxycholic acidME19584931401-21.639392.2907
XANTHINE (CAS# 69-89-6); (M-H)-XanthineME1958511188-1.335152.0334
XANTHOSINE (CAS# 146-80-5); (M-H)-XanthosineME19585264959-2.39284.0755
XYLOSE (CAS# 58-86-6); (M+HCOO)-XyloseME195853135191-0.711150.0526
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)--ME195854449093-3.952219.1121
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)--ME195855449093-3.951219.1122


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
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+10-Hydroxydecanoic acidME1958706991989-13.425188.142
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+11-DeoxycortisolME195871440707-15.538346.212
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+PC 16:0_18:0ME19587418631368-25.713761.5928
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+PC 16:0_18:0ME19587518631368-25.637761.5988
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+LPC 16:0ME195872460602-22.315495.3296
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+LPC 16:0ME195873460602-22.257495.3342
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)...17alpha-HydroxyprogesteroneME1958766238-17.805330.2212
18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+LPE 18:0ME1958779547068-22.942481.3195
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+LPE 18:0ME1958789547068-22.484481.3194
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+LPE 18:0ME1958799547068-22.769481.3198
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+LPE 18:0ME1958809547068-22.401481.3162
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8...1-Aminocyclopropanecarboxylic acidME1958615460234-1.061101.0468
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+1-MethyladenosineME19586227476-3.039281.1122
1-METHYLNICOTINAMIDE (CAS# ); M+1-Methyl nicotinamideME195863457-0.659137.0701
1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+1-Methyluric acidME19586469726-2.221182.0432
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+1-MethylxanthineME19586580220-2.539166.0484
1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+1-MethylxanthineME19586680220-2.547166.0492
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+MG 18:1ME1958675283468-22.736356.2934
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O...MG 18:1ME1958685283468-22.741356.2895
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+MG 18:1ME1958695283468-22.728356.2923
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+LPC 20:0ME19588924779473-23.227551.3961
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+LPC 20:0ME19589024779473-23.047551.3941
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+H)+SM 18:1;O2/24:0ME19589144260127-28.141814.7008
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+SM 18:1;O2/24:0ME19589244260127-28.021814.6951
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2...25-HydroxycholesterolME19589365094-22.858402.3479
(2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+CiliatineME195859339-1.038125.0231
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+2-Deoxy-glucoseME195883439268-0.721164.068
2'-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+DeoxyguanosineME195881187790-1.803267.0977
2-(DIPHENYLMETHOXY)-N-METHYLETHYLAMINE (CAS# 17471...-ME19588240791-11.101241.1458
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+2-Hydroxybutyric acidME19588411266-1.493104.0469
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+H)+[-H...2-Methylglutaric acidME19588512046-3.759146.0567
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+2-Methylglutaric acidME19588612046-3.57146.0578
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+Citraconic acidME195887643798-2.594130.0263
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2...2-Methylpropanal oximeME1958889023-0.73587.0684
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)...Hydroxyphenyllactic acidME1958959378-3.939182.0563
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA...Hydroxyphenyllactic acidME1958969378-3.845182.0566
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M...3-Amino-4-hydroxybenzoic acidME19589765083-0.951153.0426
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]3-Amino-isobutanoic acidME19589864956-1.823103.0633
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2...3beta-Hydroxy-5alpha-pregnan-20-oneME19591492787-20.765318.2587
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# )...Dehydroepiandrosterone sulfateME19591612594-15.107368.1646
3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (...DehydroepiandrosteroneME1959155881-16.908288.2111
3'-CMP (CAS# 63-37-6); (M+H)+3'-CMPME19589466535-0.955323.0525
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+3-DehydroxycarnitineME195899725-0.706145.1089
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...3-Hydroxymethylglutaric acidME1959001662-1.732162.0516
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)...3-Hydroxymethylglutaric acidME1959011662-1.566162.052
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA...3-Hydroxymethylglutaric acidME1959021662-1.865162.0535
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+3-Hydroxyanthranilic acidME19590386-2.948153.0432
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O...3-HydroxybenzaldehydeME195904101-4.846122.0371
(+)-3-HYDROXYMORPHINAN (CAS# 15676-23-0); (M+H)+-ME1958565463854-7.625243.1611
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M+H)+Resorcinol monoacetateME19590512122-7.577152.046
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+3-MethoxytyrosineME1959069307-2.037211.0849
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+H)+[-H2O]Methylglutaric acidME19590712284-3.816146.0567
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+Methylglutaric acidME19590812284-3.57146.0578
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+3-Methyl-2-butenalME19590961020-2.62284.0569
3-METHYLADENINE (CAS# 5142-23-4); (M+H)+3-MethyladenineME1959101673-0.727149.069
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+3-Methyladipic acidME19591112292-5.716160.0726
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+3-MethylxanthineME19591270639-2.262166.0501
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+Ureidopropionic acidME195913111-0.933132.0541
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+4-Acetamidobutanoic acidME19591718189-1.83145.0725
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+4-Acetamidobutanoic acidME19591818189-1.827145.0734
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+H)+Paracetamol sulfateME19591983939-2.374231.0203
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+NA)+Paracetamol sulfateME19592083939-2.382231.0209
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+P-Aminobenzoic acidME195921978-2.838137.0467
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC AC...Kynurenic acidME1959223845-4.967189.043
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4);...VanylglycolME195923688030-2.593184.0732
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+cis-4-HydroxyprolineME195924440015-0.706131.0588
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+p-Hydroxyphenylacetic acidME195925127-4.543152.0473
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)...KetoleucineME19592670-4.6130.063
4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+4-MethylcatecholME1959279958-2.361124.052
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+4-Pyridoxic acidME1959286723-1.918183.0533
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]4-Pyridoxic acidME1959296723-1.926183.0514
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+4-Pyridoxic acidME1959306723-1.912183.0541
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+4-Quinolinecarboxylic acidME19593110243-4.95173.0468
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)...LathosterolME19594665728-24.612386.3553
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+5-Amino-levulinic acidME195934137-0.706131.0588
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+5-Amino-levulinic acidME195935137-0.69131.0593
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+5-Aminopentanoic acidME195936138-0.802117.0788
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+5-Hydroxyindoleacetic acidME1959391826-4.216191.0593
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+NA)+5-Hydroxyindoleacetic acidME1959401826-4.133191.0599
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+H)+5-HydroxyomeprazoleME195937119560-12.387361.1106
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M+NA)+5-HydroxyomeprazoleME195938119560-12.383361.1109
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+5-Hydroxy-tryptophanME195941439280-1.81220.0845
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M+H)+5-Methyltetrahydrofolic acidME1959429825434-3.728459.1866
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+5'-MethylthioadenosineME195932439176-4.541297.0907
5'-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+5'-MethylthioadenosineME195933439176-4.546297.0917
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+Pyroglutamic acidME1959437405-1.19129.0428
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+Pyroglutamic acidME1959447405-1.199129.0437
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+5-ValerolactoneME19594510953-2.125100.0517
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+Pimelic acidME195947385-5.72160.0726
ABRINE (CAS# 526-31-8); (M+H)+-ME195948160511-3.571218.1036
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+H)+AcetaminophenME1959491983-3.11151.0633
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)...AcetaminophenME1959501983-3.025151.0633
ACETOACETATE (CAS# 541-50-4); (M+H)+Acetoacetic acidME19595196-2.6102.0311
ADENOSINE (CAS# 58-61-7); (M+H)+AdenosineME19595260961-1.806267.0977
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+Adipic acidME195953196-3.57146.0578
AHBA (CAS# 76045-71-1); (M+H)+3-Amino-5-hydroxybenzoic acidME195954127115-0.951153.0426
ALANINE (CAS# 56-41-7); (M+H)+AlanineME1959555950-1.44989.0477
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O]AlloseME195956439507-1.749180.0618
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]AlloseME195957439507-1.865180.0624
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+alpha-Linolenic acidME1959585280934-22.869278.222
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+alpha-TocopherolME19595914985-24.519430.3802
ANDROSTERONE (CAS# 53-41-8); (M+NA)+AndrosteroneME1959605879-19.893290.223
ARABINOSE (CAS# 147-81-9); (M+NA)+ArabinoseME19596166308-0.793150.0516
ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+Arachidic acidME19596210467-23.225312.3058
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]Vitamin CME19596354670067-1.132176.0307
ASPARAGINE (CAS# 70-47-3); (M+NA)+AsparagineME1959646267-0.882132.0526
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]Azelaic acidME1959652266-10.799188.1042
AZELAIC ACID (CAS# 123-99-9); (M+NA)+Azelaic acidME1959662266-10.8188.1063
BETA-ALANINE (CAS# 107-95-9); (M+H)+beta-AlanineME195967239-0.70689.0477
BETAINE (CAS# 107-43-7); (M+H)+BetaineME195969247-0.768117.0789
BETAINE (CAS# 107-43-7); (M+NA)+BetaineME195970247-0.587117.0785
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+MaltoseME195968439186-0.717342.1155
BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O]BilirubinME1959715280352-11.158584.2625
BILIVERDIN (CAS# 114-25-0); (M+H)+BiliverdinME1959725280353-18.593582.2505
BILIVERDIN (CAS# 114-25-0); (M+NA)+BiliverdinME1959735280353-18.597582.2528
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+bis(2-Ethylhexyl)phthalic acidME1959748343-23.127390.2804
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)...bis(2-Ethylhexyl)phthalic acidME1959758343-23.128390.2774
BIURET (CAS# 108-19-0); (M+NA)+BiuretME1959767913-1.043103.0389
BOC-LYS-OH (CAS# 13734-28-6); (M+H)+-ME1959772733284-4.724246.1597
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19597846891735-23.291643.5081
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19597946891735-23.267643.5054
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 4...-ME19598046891735-23.25643.5021
CAFFEINE (CAS# 58-08-2); (M+H)+CaffeineME1959812519-5.962194.081
CAFFEINE (CAS# 58-08-2); (M+NA)+CaffeineME1959822519-5.967194.082
CALCIDIOL (CAS# 19356-17-3); (M+H)+[-H2O]25-Hydroxyvitamin D3ME1959835283731-22.433400.3354
CALCIDIOL (CAS# 19356-17-3); (M+NA)+25-Hydroxyvitamin D3ME1959845283731-22.798400.332
CARNOSINE (CAS# 305-84-0); (M+H)+CarnosineME195985439224-0.641226.1055
CARNOSINE (CAS# 305-84-0); (M+NA)+CarnosineME195986439224-0.682226.1056
CELLOBIOSE (CAS# 528-50-7); (M+NA)+CellobioseME195987294-0.717342.1155
CHOLATE (CAS# 81-25-4); (M+NA)+Cholic acidME195988221493-20.356408.2857
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]CholesterolME1959895997-24.612386.3553
CHOLINE (CAS# 62-49-7); M+CholineME195990305-0.68104.1066
CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O]Cinnamic acidME195991444539-11.608148.0512
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+cis-Vaccenic acidME1959925282761-22.95282.255
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+cis-Vaccenic acidME1959935282761-22.782282.2578
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+cis-ZeatinME195994688597-3.941219.1124
CITRAMALATE (CAS# 2306-22-1); (M+H)+Citramalic acidME195995441696-1.642148.0363
CITRATE (CAS# 77-92-9); (M+H)+[-H2O]Citric acidME195996311-1.25192.0255
CITRATE (CAS# 77-92-9); (M+NA)+Citric acidME195997311-1.054192.0274
CITRULLINE (CAS# 372-75-8); (M+H)+CitrullineME1959989750-0.668175.0968
CITRULLINE (CAS# 372-75-8); (M+NA)+CitrullineME1959999750-0.663175.0942
CMP (CAS# 63-37-6); (M+H)+CMPME1960006131-0.954323.0525
CORTICOSTERONE (CAS# 50-22-6); (M+H)+CorticosteroneME1960015753-15.04346.2134
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+CorticosteroneME1960025753-15.307346.2139
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+Cortisol 21-acetateME1960055744-15.397404.22
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+[-H2O]Cortisol 21-acetateME1960065744-16.005404.218
CORTISOL (CAS# 50-23-7); (M+H)+CortisolME1960035754-13.875362.2073
CORTISOL (CAS# 50-23-7); (M+NA)+CortisolME1960045754-13.875362.2101
CORTISONE (CAS# 53-06-5); (M+H)+CortisoneME196007222786-13.455360.1921
CORTISONE (CAS# 53-06-5); (M+NA)+CortisoneME196008222786-13.454360.196
(-)-COTININE (CAS# 486-56-6); (M+H)+CotinineME195857854019-1.796176.0953
CREATINE (CAS# 57-00-1); (M+H)+CreatineME196009586-0.704131.0691
CREATININE (CAS# 60-27-5); (M+H)+CreatinineME196010588-0.723113.0587
CREATININE (CAS# 60-27-5); (M+NA)+CreatinineME196011588-0.706113.0585
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+-ME19601271309782-0.731114.0615
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+NA)...-ME19601371309782-0.691114.0613
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+H)+-ME19601471309782-0.665114.0613
CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+NA)+-ME19601571309782-0.69114.0618
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O]CystathionineME196016439258-0.707222.0687
CYSTINE (CAS# 56-89-3); (M+H)+CystineME1960176857538-0.731240.0219
CYSTINE (CAS# 56-89-3); (M+NA)+CystineME1960186857538-0.703240.0218
CYTIDINE (CAS# 65-46-3); (M+H)+CytidineME1960196175-0.891243.0852
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ArabinoseME19602066308-0.793150.0516
DEBRISOQUIN (CAS# 581-88-4); (M+H)+DebrisoquineME1960262966-5.146175.1106
DECANOATE (CAS# 334-48-5); (2M+H)+Capric acidME1960272969-22.865172.1479
DECANOATE (CAS# 334-48-5); (2M+NA)+Capric acidME1960282969-22.842172.1454
DEOXYADENOSINE (CAS# 16373-93-6); (M+NA)+DeoxyadenosineME19602913730-1.571251.1033
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+Deoxycholic acidME196030222528-21.748392.2897
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+Deoxycholic acidME196031222528-21.815392.2915
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+Deoxycholic acidME196032222528-21.731392.2898
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+DeoxyuridineME19603313712-1.677228.076
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O]DesmosterolME196034439577-24.297384.3395
DETHIOBIOTIN (CAS# 533-48-2); (M+H)+[-H2O]DethiobiotinME196035445027-8.104214.1317
DEXTROMETHORPHAN (CAS# 125-69-9); (M+H)+DextromethorphanME1960365360696-11.234271.1938
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+Glucose 6-phosphateME1960215958-1.05260.0299
DIETHYLSTILBESTROL (CAS# 56-53-1); (M+NA)+DiethylstilbestrolME196038448537-18.824268.1449
DIMETHYLBENZIMIDAZOLE (CAS# 582-60-5); (M+H)+DimethylbenzimidazoleME196039675-6.051146.0847
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA...Tert-butoxycarbonyl anhydrideME19603790495-5.688218.1154
D-LYXOSE (CAS# 1114-34-7); (M+NA)+LyxoseME19602265550-0.735150.0515
D-ORNITHINE (CAS# 348-66-3); (M+H)+D-OrnithineME1960236262-0.555132.0897
D-ORNITHINE (CAS# 348-66-3); (M+H)+[-H2O]D-OrnithineME1960246262-0.552132.0895
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]PsicoseME19602590008-0.719180.0628
DUMP (CAS# 964-26-1); (M+K)+dUMPME19604065063-0.897308.0397
EDTA (CAS# 60-00-4); (M+NA)+Edetic acidME1960416049-1.227292.0907
ELAIDIC ACID (CAS# 112-79-8); (M+H)+Elaidic acidME196042637517-22.95282.255
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+Elaidic acidME196043637517-22.783282.2567
EPIANDROSTERONE (CAS# 481-29-8); (M+H)+[-H2O]EpiandrosteroneME196044441302-18.076290.2239
EPINEPHRINE (CAS# 51-43-4); (M+H)+EpinephrineME1960455816-0.793183.088
EPINEPHRINE (CAS# 51-43-4); (M+H)+[-H2O]EpinephrineME1960465816-0.895183.0884
ERYTHRITOL (CAS# 149-32-6); (M+NA)+ErythritolME196047222285-0.758122.0586
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+beta-EstradiolME1960485757-16.416272.1792
ESTRONE (CAS# 53-16-7); (M+H)+EstroneME1960495870-16.531270.1598
ESTRONE (CAS# 53-16-7); (M+NA)+EstroneME1960505870-16.063270.1594
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M+H)+PhosphoethanolamineME1960511015-1.033141.0191
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+Ethylmalonic acidME19605211756-3.009132.0421
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+FlucytosineME1960533366-0.666129.0348
FRUCTOSE (CAS# 57-48-7); (M+NA)+FructoseME1960545984-0.702180.0627
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+GalactitolME19605511850-0.711182.0775
GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+Galacturonic acidME19605684740-0.564194.0411
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+gamma-ButyrolactoneME1960577302-1.77586.0373
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+gamma-Linolenic acidME1960585280933-22.869278.222
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+-ME1960596466-8.565346.1433
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+Glucosamine 6-phosphateME196060439217-0.734259.046
GLUCOSE (CAS# 50-99-7); (2M+NA)+GlucoseME1960615793-0.678180.0631
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]GlucoseME1960625793-0.718180.0627
GLUCOSE (CAS# 50-99-7); (M+NA)+GlucoseME1960635793-0.689180.0627
GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+Glucuronic acidME19606494715-0.967194.0411
GLUTAMATE (CAS# 56-86-0); (M+H)+Glutamic acidME19606533032-0.681147.053
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]Glutamic acidME19606633032-0.662147.0522
GLUTAMINE (CAS# 56-85-9); (M+NA)+GlutamineME1960675961-0.688146.0684
GLUTARATE (CAS# 110-94-1); (M+NA)+Glutaric acidME196068743-2.064132.0416
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O]GlyceraldehydeME19606979014-1.62290.0319
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O]GlyceraldehydeME19607079014-1.85890.0323
GLYCINE (CAS# 56-40-6); (M+H)+GlycineME196071750-0.87375.0325
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+Glycochenodeoxycholic acidME1960729548796-20.692449.3098
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2...Glycochenodeoxycholic acidME1960739548796-20.414449.3118
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+Glycochenodeoxycholic acidME1960749548796-20.337449.3146
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+Glycocholic acidME19607510140-18.914465.3056
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O]Glycocholic acidME19607610140-18.78465.3063
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+Glycocholic acidME19607710140-18.885465.3082
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+Glycolithocholic acidME196078115245-21.702433.3167
GUAIFENESIN (CAS# 93-14-1); (M+NA)+GuaifenesinME1960793516-7.792198.0904
GUANINE (CAS# 73-40-5); (2M+NA)+GuanineME196080764-0.933151.0495
GUANINE (CAS# 73-40-5); (M+H)+GuanineME196081764-1.013151.0485
GUANINE (CAS# 73-40-5); (M+NA)+GuanineME196082764-0.979151.0501
GUANOSINE (CAS# 118-00-3); (M+H)+GuanosineME1960836802-1.828283.0921
GUANOSINE (CAS# 118-00-3); (M+NA)+GuanosineME1960846802-1.834283.0918
HIPPURATE (CAS# 495-69-2); (M+H)+Hippuric acidME196085464-4.846179.0598
HIPPURATE (CAS# 495-69-2); (M+NA)+Hippuric acidME196086464-4.845179.0586
HOMOCYSTEINE (CAS# 454-29-5); (M+H)+HomocysteineME19608791552-0.679135.0356
HOMOGENTISATE (CAS# 451-13-8); (M+H)+Homogentisic acidME196088780-2.282168.0406
HOMOGENTISATE (CAS# 451-13-8); (M+H)+[-H2O]Homogentisic acidME196089780-2.312168.0418
HOMOGENTISATE (CAS# 451-13-8); (M+NA)+Homogentisic acidME196090780-2.299168.0409
HOMOSERINE (CAS# 672-15-1); (M+H)+HomoserineME19609112647-0.659119.0594
HOMOVANILLATE (CAS# 306-08-1); (M+H)+Homovanillic acidME1960921738-5.697182.0563
HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+Hyodeoxycholic acidME1960935283820-20.128392.291
HYPOXANTHINE (CAS# 68-94-0); (M+H)+HypoxanthineME196094790-1.131136.0386
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+HypoxanthineME196095790-1.132136.0382
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)...-ME19609710444113-13.052236.1053
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA...-ME19609810444113-13.067236.1054
IBUPROFEN (CAS# 15687-27-1); (M+NA)+IbuprofenME196096114864-18.944206.1296
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+IndoleacetaldehydeME196100800-1.847159.0686
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+1H-Indole-3-acetamideME196101397-5.778174.08
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+Indoleacetic acidME196102802-8.459175.0633
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+Indoleacetic acidME196103802-8.459175.0635
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+TryptophanolME19610410685-8.35161.0826
INDOLE (CAS# 120-72-9); (2M+NA)+IndoleME196099798-6.541117.0573
INOSINE (CAS# 58-63-9); (M+H)+InosineME1961056021-1.829268.0814
INOSINE (CAS# 58-63-9); (M+NA)+InosineME1961066021-1.821268.0812
ISOLEUCINE (CAS# 73-32-5); (M+H)+IsoleucineME1961076306-1.567131.0946
ISOLEUCINE (CAS# 73-32-5); (M+NA)+IsoleucineME1961086306-1.631131.0936
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+-ME1961095281166-13.215210.1256
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+-ME1961105281166-13.228210.1258
KYNURENINE (CAS# 343-65-7); (M+H)+KynurenineME196111161166-2.234208.085
KYNURENINE (CAS# 343-65-7); (M+NA)+KynurenineME196112161166-2.231208.0856
LACTOSE (CAS# 63-42-3); (M+K)+LactoseME196128440995-0.727342.1167
LACTOSE (CAS# 63-42-3); (M+NA)+LactoseME196129440995-0.717342.1155
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+AllothreonineME19611399289-0.659119.0594
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]AllothreonineME19611499289-0.909119.0586
LANOSTEROL (CAS# 79-63-0); (M+NA)+LanosterolME196130246983-23.364426.3883
LANTHIONINE (CAS# 3183-08-2); (M+NA)+LanthionineME196131102950-0.73208.0538
L-ARGININE (CAS# 74-79-3); (M+H)+ArginineME1961156322-0.664174.1105
L-ARGININE (CAS# 74-79-3); (M+NA)+ArginineME1961166322-0.624174.1113
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (...-ME19611716217579-0.663176.1041
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+CAR 12:0ME196132168381-17.799343.271
LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+CAR 12:0ME196133168381-17.983343.271
L-CARNITINE (CAS# 541-15-1); (M+H)+CarnitineME19611810917-0.683161.1043
LEUCINE (CAS# 328-39-2); (M+H)+LeucineME1961346106-1.621131.0946
LEUCINE (CAS# 328-39-2); (M+NA)+LeucineME1961356106-1.63131.0936
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+LTB4ME1961365280492-20.659336.2287
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]LTB4ME1961375280492-20.793336.2272
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+LTB4ME1961385280492-20.678336.2304
LEVORPHANOL (CAS# 77-07-6); (M+H)+LevorphanolME1961395359272-7.4257.1772
L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O]Gulonic acidME196119152304-0.954196.0589
L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O]Gulonic acidME196120152304-0.929196.0593
L-HISTIDINE (CAS# 71-00-1); (M+H)+HistidineME1961216274-0.713155.0692
L-HISTIDINE (CAS# 71-00-1); (M+NA)+HistidineME1961226274-0.643155.0687
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+L-HistidinolME196123165271-0.394141.0907
LIPOAMIDE (CAS# 940-69-2); (M+NA)+LipoamideME196140863-10.469205.0586
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+Lithocholic acidME1961419903-22.413376.2974
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+H)+Methionine sulfoximineME19612489034-0.926180.0552
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+NA)...Methionine sulfoximineME19612589034-0.663180.0585
LOPERAMIDE (CAS# 34552-83-5); (M+H)+LoperamideME1961423955-15.337476.2245
LORATADINE (CAS# 79794-75-5); (M+NA)+LoratadineME1961433957-17.855382.1418
L-ORNITHINE (CAS# 70-26-8); (M+H)+OrnithineME1961266262-0.555132.0897
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+-ME19612716217285-3.663206.085
LUMICHROME (CAS# 1086-80-2); (M+H)+LumichromeME1961445326566-11.034242.0814
LUMICHROME (CAS# 1086-80-2); (M+NA)+LumichromeME1961455326566-11242.0823
LYSINE (CAS# 56-87-1); (M+H)+LysineME1961465962-0.555146.1055
LYSINE (CAS# 56-87-1); (M+NA)+LysineME1961475962-0.57146.1044
MALTOSE (CAS# 69-79-4); (M+NA)+MaltoseME196151439186-0.717342.1155
MANDELIC ACID (CAS# 611-71-2); (M+H)+[-H2O]Mandelic acidME19615211914-5.354152.0479
MANNITOL (CAS# 69-65-8); (M+NA)+MannitolME1961536251-0.711182.0775
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+Mannose 6-phosphateME196154439198-1.04260.0306
MELANIN (CAS# 8049-97-6); (M+H)+MelaninME1961556325610-1.199318.0625
MELATONIN (CAS# 73-31-4); (M+NA)+MelatoninME196156896-8.508232.123
MELIBIOSE (CAS# 585-99-9); (M+K)+MelibioseME196157440658-0.727342.1167
MELIBIOSE (CAS# 585-99-9); (M+NA)+MelibioseME196158440658-0.717342.1155
METHIONINE (CAS# 63-68-3); (M+H)+MethionineME1961596137-1.016149.0511
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)...Methyl beta-D-galactosideME19616094214-0.886194.0783
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+H)+Indole-3-methyl acetateME19616174706-11.745189.0802
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+Indole-3-methyl acetateME19616274706-11.74189.0794
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+Methyl jasmonateME1961635281929-15.993224.1406
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+Mevalonic acidME196164439230-1.736148.0738
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+[-H2O]Mevalonic acidME196165439230-1.78148.0737
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+H)+[-...3-Hydroxymandelic acidME19614886957-2.184168.0411
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+3-Hydroxymandelic acidME19614986957-2.275168.0409
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[...3-Hydroxymandelic acidME19615086957-1.748168.0431
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+H)+[-H2...Monomethyl glutaric acidME19616673917-3.793146.0567
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+Monomethyl glutaric acidME19616773917-3.57146.0578
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+Myo-inositolME196168892-0.674180.063
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+N-Acetyl-D-glucosamineME196171446101-1.009221.0902
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+N-Acetyl-D-glucosamineME196172446101-0.717221.0916
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+N-Acetylglutamic acidME196176185-1.195189.0627
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+...N-Acetylglutamic acidME196177185-1.604189.064
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)...N-Acetylglutamic acidME196178185-1.293189.0619
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+N-AcetylmethionineME196179448580-4.092191.0607
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H...N-AcetylmethionineME196180448580-3.806191.06
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+N-AcetylmethionineME196181448580-4.098191.0616
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+N-AcetylserineME19618265249-0.696147.053
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]N-AcetylserineME19618365249-0.875147.0534
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+N-AcetylserineME19618465249-0.783147.0522
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+H)+N-Acetyl-mannosamineME19617353477792-1.009221.0902
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+N-Acetyl-mannosamineME19617453477792-0.717221.0916
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+N-Acetyl-D-tryptophanME196175439917-8.015246.1019
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+N-Acetyl-D-galactosamineME19619435717-1.009221.0902
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+N-Acetyl-D-galactosamineME19619535717-0.717221.0916
N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+N-AcetylglycineME1961961097-0.939117.0423
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+N-AcetylalanineME19618588064-1.529131.0579
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]N-AcetylalanineME19618688064-1.279131.0591
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+N-AcetylalanineME19618788064-1.464131.058
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-...N-Acetylaspartic acidME19618865065-0.998175.0495
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+N-Acetylaspartic acidME19618965065-1.009175.0485
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+N-AcetylleucineME19619075619-7.162173.1038
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+N-AcetylleucineME19619175619-7.193173.1057
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+N-AcetylphenylalanineME19619274839-7.498207.0888
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+N-AcetylphenylalanineME19619374839-7.774207.0901
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+N-Acetylneuraminic acidME196197439197-0.87309.1056
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+N(2)-AcetyllysineME19619892907-0.919188.1156
NAPROXEN (CAS# 22204-53-1); (M+H)+NaproxenME196212156391-15.812230.0943
NAPROXEN (CAS# 22204-53-1); (M+NA)+NaproxenME196213156391-15.816230.0959
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (M+H)...N-BenzyloxycarbonylglycineME19619914349-8.999209.0703
N-BENZYLOXYCARBONYLGLYCINE (CAS# 1138-80-3); (M+NA...N-BenzyloxycarbonylglycineME19620014349-8.662209.0691
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+N-CyclohexylformamideME19620113017-7.975127.0992
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+N-CyclohexylformamideME19620213017-7.98127.0994
N-ETHYLMALEIMIDE (CAS# 128-53-0); (M+H)+N-EthylmaleimideME1962034362-3.437125.0468
NICOTINAMIDE (CAS# 98-92-0); (M+H)+NiacinamideME196214936-1.148122.0477
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+N...Nicotinamide ribotideME19621514180-0.618334.0599
NICOTINE (CAS# 54-11-5); (M+H)+NicotineME196216157672-1.324162.1144
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+N-Methyl-D-aspartic acidME1962044376-0.691147.053
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+N-Methyl-D-aspartic acidME1962054376-0.755147.0522
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O...N-Methyl-glutamic acidME196206439377-1.922161.0676
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+N-Methyl-glutamic acidME196207439377-1.928161.0686
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2...N-Methyl-glutamic acidME196208439377-1.885161.0695
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+TrigonellineME1962095570-0.71137.0464
N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+N-MethyltryptamineME1962106088-4.212174.1142
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+NA)+N-NitrosodiethanolamineME19621114223-1.087134.0678
NONANOATE (CAS# 112-05-0); (M+NA)+Pelargonic acidME1962178158-13.241158.1305
NORADRENALINE (CAS# 51-41-2); (M+H)+Xi-NorepinephrineME196218951-0.785169.0754
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O]Xi-NorepinephrineME196219951-0.734169.0729
NORLEUCINE (CAS# 327-57-1); (M+H)+NorleucineME19622021236-1.629131.0946
NORMETANEPHRINE (CAS# 0); (M+H)+NormetanephrineME196221688100-2.575183.089
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]NormetanephrineME196222688100-2.62183.0883
NORVALINE (CAS# 6600-40-4); M+[-CO2H]NorvalineME19622465098-0.912117.0796
NORVALINE (CAS# 6600-40-4); (M+H)+NorvalineME19622365098-0.912117.0788
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+3-MethylhistidineME19616964969-0.65169.0845
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+NA)+3-MethylhistidineME19617064969-0.63169.084
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+CAR 2:0ME19622518230-0.962203.1157
OLEAMIDE (CAS# 301-02-0); (M+H)+OleamideME1962285283387-22.648281.2695
OLEAMIDE (CAS# 301-02-0); (M+NA)+OleamideME1962295283387-22.652281.2716
OLEIC ACID (CAS# 112-80-1); (M+H)+Oleic acidME196230445639-22.567282.2537
OLEIC ACID (CAS# 112-80-1); (M+NA)+Oleic acidME196231445639-22.565282.2552
OMEPRAZOLE (CAS# 73590-58-6); (M+H)+OmeprazoleME1962324594-11.206345.1155
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (2M+NA)+Omeprazole sulfoneME196233145900-12.223361.1102
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M+H)+Omeprazole sulfoneME196234145900-12.381361.1106
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+DL-O-PhosphoserineME196226106-0.73185.0093
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+o-SuccinylhomoserineME196227439406-0.622219.0728
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME19623583944-2.268327.095
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME19623683944-2.267327.0958
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-...p-AcetamidophenylglucuronideME19623783944-2.267327.0959
PALATINOSE (CAS# 343336-76-5); (M+NA)+PalatinoseME196238439559-0.717342.1155
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+CAR 16:0ME19623911953816-21.39399.3351
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+CAR 16:0ME19624011953816-21.39399.3347
PANTOTHENATE (CAS# 79-83-4); (M+H)+Pantothenic acidME1962416613-3.289219.1108
PANTOTHENATE (CAS# 79-83-4); (M+NA)+Pantothenic acidME1962426613-3.288219.1111
PARAXANTHINE (CAS# 611-59-6); (M+H)+ParaxanthineME1962434687-4.446180.0651
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ParaxanthineME1962444687-4.475180.0649
PHENYLALANINE (CAS# 63-91-2); (M+H)+PhenylalanineME1962456140-2.527165.0779
PHENYLALANINE (CAS# 63-91-2); (M+NA)+PhenylalanineME1962466140-2.588165.0785
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+PhenylephrineME1962476041-1.059167.0939
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+[-H2O]PhenylephrineME1962486041-1.28167.0941
PHTHALATE (CAS# 88-99-3); (M+NA)+Phthalic acidME1962491017-4.849166.0271
PINITOL (CAS# 10284-63-6); (M+NA)+PinitolME196250164619-0.888194.0783
PIPECOLATE (CAS# 535-75-1); (M+H)+Pipecolic acidME196251849-0.737129.0787
PIPECOLATE (CAS# 535-75-1); (M+NA)+Pipecolic acidME196252849-0.659129.0787
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME19625383228-0.662162.1018
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (...-ME19625483228-0.674162.1019
PROGESTERONE (CAS# 57-83-0); (M+H)+ProgesteroneME1962555994-19.869314.2219
PROGESTERONE (CAS# 57-83-0); (M+NA)+ProgesteroneME1962565994-19.791314.2274
PROLINE (CAS# 147-85-3); (M+H)+ProlineME196257145742-0.706115.063
PROLINE (CAS# 147-85-3); (M+NA)+ProlineME196258145742-0.709115.064
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+PGE2ME1962595280360-16.467352.2245
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O]PGE2ME1962605280360-16.959352.2235
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+PGE2ME1962615280360-16.753352.2263
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ProtoporphyrinME1962624971-23.053562.2585
PTERIN (CAS# 2236-60-4); (M+H)+PterinME19626373000-1.862163.0483
PURINE (CAS# 120-73-0); (M+H)+PurineME1962641044-1.499120.0434
PURINE (CAS# 120-73-0); (M+NA)+PurineME1962651044-1.34120.0427
PYRIDOXAL (CAS# 66-72-8); (M+H)+PyridoxalME1962661050-1.817167.0567
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]PyridoxalME1962671050-1.811167.0589
PYRIDOXAMINE (CAS# 85-87-0); (M+H)+PyridoxamineME1962681052-0.573168.0882
PYRIDOXINE (CAS# 65-23-6); (M+H)+PyridoxineME1962691054-0.922169.0739
QUINATE (CAS# 77-95-2); (M+H)+Quinic acidME1962706508-1.147192.0638
QUINATE (CAS# 77-95-2); (M+NA)+Quinic acidME1962716508-0.746192.0629
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+2-HydroxyquinolineME1962726038-7.746145.0525
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+2-HydroxyquinolineME1962736038-7.834145.0525
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)...MG 14:0ME19627479050-22.184302.2433
RAFFINOSE (CAS# 512-69-6); (M+K)+RaffinoseME196275439242-0.72504.1665
RAFFINOSE (CAS# 512-69-6); (M+NA)+RaffinoseME196276439242-0.724504.1683
RESORCINOL MONOACETATE (CAS# 102-29-4); (M+H)+Resorcinol monoacetateME1962775055-7.577152.046
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+RiboflavinME196278493570-7.675376.1396
RIBOSE (CAS# 50-69-1); (M+NA)+RiboseME1962795779-0.793150.0516
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME195860440473-0.892198.0656
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+S-AdenosylhomocysteineME196280439155-1.544384.1212
SALICYLURIC ACID (CAS# 487-54-7); (M+H)+Salicyluric acidME19628110253-6.292195.0541
SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+Salicyluric acidME19628210253-6.256195.0545
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+SalsolinolME1958587157331-1.309179.0933
SARCOSINE (CAS# 107-97-1); (M+H)+SarcosineME1962831088-0.70689.0477
SEBACIC ACID (CAS# 111-20-6); (M+NA)+Sebacic acidME1962845192-13.031202.1216
SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+-ME196285115119-0.555247.9344
SELENOMETHIONINE (CAS# 1464-42-2); (M+H)+SelenomethionineME196286105024-1.501196.9972
SERINE (CAS# 56-45-1); (M+H)+SerineME196287617-1.016105.0419
SEROTONIN (CAS# 50-67-9); (M+H)+SerotoninME1962885202-1.796176.0953
SEROTONIN (CAS# 50-67-9); (M+NA)+SerotoninME1962895202-1.643176.0939
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]Shikimic acidME1962908742-1.06174.0525
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+...sn-Glycero-3-phosphocholineME196291439285-0.686257.1025
SPERMIDINE (CAS# 124-20-9); (M+H)+SpermidineME1962921102-0.575145.157
SPERMINE (CAS# 71-44-3); (M+H)+SpermineME1962931103-0.776202.2143
SPHINGANINE (CAS# 764-22-7); (M+H)+SphinganineME196294644260-20.882301.2968
SPHINGANINE (CAS# 764-22-7); (M+NA)+SphinganineME196295644260-21.017301.2962
SQUALENE (CAS# 111-02-4); (M+K)+SqualeneME1962965280370-24.365410.3946
STACHYOSE (CAS# 54261-98-2); (M+NA)+StachyoseME196297439531-0.718666.2205
SUBERIC ACID (CAS# 505-48-6); (M+NA)+Suberic acidME19629810457-8.309174.0906
SUCROSE (CAS# 57-50-1); (M+NA)+SucroseME1962995988-0.717342.1155
TAURINE (CAS# 107-35-7); (M+H)+TaurineME1963001123-0.814125.0149
TAURINE (CAS# 107-35-7); (M+NA)+TaurineME1963011123-0.773125.0139
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+Taurochenodeoxycholic acidME196302387316-20.274499.2989
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+Taurocholic acidME1963036675-17.952515.2876
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+Taurolithocholic acidME196304439763-21.728483.2987
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+Taurolithocholic acidME196305439763-21.747483.3053
THEOBROMINE (CAS# 83-67-0); (M+H)+TheobromineME1963065429-3.525180.0648
THEOBROMINE (CAS# 83-67-0); (M+NA)+TheobromineME1963075429-3.605180.0635
THEOPHYLLINE (CAS# 58-55-9); (M+H)+TheophyllineME1963082153-4.333180.065
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+TheophyllineME1963092153-4.461180.0646
THIAMIN (CAS# 59-43-8); M+ThiamineME1963101130-0.659265.1097
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]ThreonineME1963116288-1119.0579
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O]TXB2ME1963125283137-16.467370.2351
THYMINE (CAS# 65-71-4); (M+H)+ThymineME1963131135-1.838126.0418
THYROXINE (CAS# 51-48-9); (M+H)+ThyroxineME1963145819-16.267776.6925
THYROXINE (CAS# 51-48-9); (M+NA)+ThyroxineME1963155819-15.786776.6838
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+trans-4-HydroxyprolineME1963165810-0.706131.0588
TRIBUTYRIN (CAS# 60-01-5); (M+NA)+TG 4:0/4:0/4:0ME1963176050-19.332302.1745
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]1,2,3-Propanetricarboxylic acidME19631814925-1.132176.0307
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+NA)+1,2,3-Propanetricarboxylic acidME19631914925-1.215176.0312
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+TrimethylamineME1963201146-0.7259.0734
TRYPTOPHAN (CAS# 73-22-3); (M+H)+TryptophanME1963216305-3.663204.0886
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+TryptophanME1963226305-3.663204.0889
TYRAMINE (CAS# 51-67-2); (M+H)+TyramineME1963235610-1.075137.0831
TYROSINE (CAS# 60-18-4); (M+H)+TyrosineME1963246057-1.353181.0737
TYROSINE (CAS# 60-18-4); (M+NA)+TyrosineME1963256057-1.356181.073
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+UDP-N-acetylglucosamineME196326445675-1.62607.0781
URATE (CAS# 69-93-2); (M+H)+Uric acidME1963271175-1.044168.0286
URATE (CAS# 69-93-2); (M+NA)+Uric acidME1963281175-1.045168.0289
URIDINE (CAS# 58-96-8); (M+H)+UridineME1963296029-1.368244.0692
URIDINE (CAS# 58-96-8); (M+NA)+UridineME1963306029-1.366244.0696
UROCANATE (CAS# 104-98-3); (M+H)+Urocanic acidME196331736715-0.993138.0432
UROCANATE (CAS# 104-98-3); (M+NA)+Urocanic acidME196332736715-0.712138.0443
URSODIOL (CAS# 128-13-2); (M+NA)+Ursodeoxycholic acidME19633331401-21.731392.2898
VALINE (CAS# 72-18-4); (M+H)+ValineME1963346287-0.912117.0788
VALINE (CAS# 72-18-4); (M+NA)+ValineME1963356287-0.604117.0783
VITAMIN B12 (CAS# 68-19-9); (M+2NA)+2Vitamin B12ME196336118701016-6.9961354.5581
XANTHINE (CAS# 69-89-6); (M+H)+XanthineME1963371188-1.305152.0325
XANTHOSINE (CAS# 146-80-5); (M+H)+XanthosineME19633864959-2.32284.0782
XANTHOSINE (CAS# 146-80-5); (M+NA)+XanthosineME19633964959-2.309284.0757
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+Xanthurenic acidME1963405699-4.575205.0386
XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O]XyloseME196341135191-2.572150.0531
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+-ME196342449093-3.941219.1124


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
CL 66:1; [M-2H](2-)@6.33CL 66:1ME196343--6.33-
CL 70:1; [M-2H](2-)@6.82CL 70:1ME196344--6.82-
CL 70:5; [M-2H](2-)@6.12CL 70:5ME196345--6.12-
CL 72:3; [M-2H](2-)@6.84CL 72:3ME196346--6.84-
CL 72:5; [M-2H](2-)@7.40CL 72:5ME196347--7.4-
CL 72:6; [M-2H](2-)@6.93CL 72:6ME196348--6.93-
CL 72:8; [M-2H](2-)@6.77CL 72:8ME196349--6.77-
CL 74:1; [M-2H](2-)@7.31CL 74:1ME196351--7.57-
CL 74:1; [M-2H](2-)@7.57CL 74:1ME196350--7.57-
CL 74:3; [M-2H](2-)@7.04CL 74:3ME196352--7.04-
CL 74:4; [M-2H](2-)@6.51CL 74:4ME196353--6.51-
CL 74:5; [M-2H](2-)@6.67CL 74:5ME196354--6.67-
CL 74:7; [M-2H](2-)@6.22CL 74:7ME196355--6.22-
CL 74:9; [M-2H](2-)@6.11CL 74:9ME196356--6.11-
CL 76:10; [M-2H](2-)@6.88CL 76:10ME196357--6.88-
CL 76:13; [M-2H](2-)@6.69CL 76:13ME196358--6.69-
CL 76:7; [M-2H](2-)@6.76CL 76:7ME196359--6.76-
CL 76:8; [M-2H](2-)@7.51CL 76:8ME196360--7.51-
CL 76:9; [M-2H](2-)@7.39CL 76:9ME196361--7.39-
CL 78:11; [M-2H](2-)@6.39CL 78:11ME196362--6.39-
CL 78:4; [M-2H](2-)@7.12CL 78:4ME196363--7.12-
CL 78:5; [M-2H](2-)@7.35CL 78:5ME196364--7.35-
CL 78:7; [M-2H](2-)@5.56CL 78:7ME196365--6.94-
CL 78:7; [M-2H](2-)@6.94CL 78:7ME196366--6.94-
CL 78:8; [M-2H](2-)@6.39CL 78:8ME196367--6.39-
CL 78:9; [M-2H](2-)@6.61CL 78:9ME196368--6.61-
CL 82:11; [M-2H](2-)@6.90CL 82:11ME196369--6.9-
CL 82:13; [M-2H](2-)@6.51CL 82:13ME196370--6.51-
CL 82:9; [M-2H](2-)@7.31CL 82:9ME196371--7.31-
lysoPE 16:0; [M-H]-@1.78LPE 16:0ME196500--1.78-
lysoPE 18:0; [M-H]-@2.60LPE 18:0ME196501--2.6-
lysoPE 18:1; [M-H]-@1.94LPE 18:1ME196502--1.94-
lysoPE 18:2; [M-H]-@1.47LPE 18:2ME196503--1.47-
lysoPE 20:3; [M-H]-@1.72LPE 20:3ME196504--1.72-
lysoPE 20:4; [M-H]-@1.44LPE 20:4ME196505--1.44-
lysoPE 20:5; [M-H]-@1.14LPE 20:5ME196506--1.14-
lysoPE 22:1; [M-H]-@3.60LPE 22:1ME196507--3.6-
lysoPE 22:4; [M-H]-@2.01LPE 22:4ME196508--2.01-
lysoPE 22:5; [M-H]-@1.67LPE 22:5ME196509--1.67-
lysoPE 22:6; [M-H]-@1.39LPE 22:6ME196510--1.39-
PA 29:0; [M-H]-@3.28PA 29:0ME196372--3.28-
PA 33:2; [M-H]-@2.02PA 33:2ME196373--2.02-
PA 34:0; [M-H]-@6.94PA 34:0ME196374--6.94-
PA 36:2; [M-H]-@1.95PA 36:2ME196375--1.95-
PA 38:2; [M-H]-@7.66PA 38:2ME196376--7.66-
PA 40:3; [M-H]-@7.39PA 40:3ME196377--7.39-
PA 40:4; [M-H]-@6.89PA 40:4ME196378--6.89-
PA 40:5; [M-H]-@6.71PA 40:5ME196379--6.71-
PA 43:6; [M-H]-@6.41PA 43:6ME196380--6.41-
PC 28:0; [M-Ac-H]-@5.44PC 28:0ME196381--5.44-
PC 30:0; [M-Ac-H]-@6.14PC 30:0ME196382--6.14-
PC 30:1; [M-Ac-H]-@5.59PC 30:1ME196383--5.59-
PC 30:2; [M-Ac-H]-@5.03PC 30:2ME196384--5.03-
PC 31:0; [M-Ac-H]-@6.40PC 31:0ME196385--6.4-
PC 32:0; [M-Ac-H]-@6.80PC 32:0ME196386--6.8-
PC 32:1; [M-Ac-H]-@6.29PC 32:1ME196387--6.29-
PC 32:2; [M-Ac-H]-@5.79PC 32:2ME196388--5.79-
PC 32:3; [M-Ac-H]-@5.36PC 32:3ME196389--5.36-
PC 33:0; [M-Ac-H]-@6.41PC 33:0ME196390--6.41-
PC 33:1; [M-Ac-H]-@6.70PC 33:1ME196391--6.7-
PC 33:2; [M-Ac-H]-@6.14PC 33:2ME196392--6.14-
PC 33:3; [M-Ac-H]-@5.68PC 33:3ME196393--5.68-
PC 34:0; [M-Ac-H]-@7.44PC 34:0ME196394--7.44-
PC 34:1; [M-Ac-H]-@5.07PC 34:1ME196396--9.14-
PC 34:1; [M-Ac-H]-@6.83PC 34:1ME196398--9.14-
PC 34:1; [M-Ac-H]-@8.66PC 34:1ME196397--9.14-
PC 34:1; [M-Ac-H]-@9.14PC 34:1ME196395--9.14-
PC 34:2; [M-Ac-H]-@4.54PC 34:2ME196399--4.54-
PC 34:3; [M-Ac-H]-@5.95PC 34:3ME196400--5.95-
PC 34:4; [M-Ac-H]-@5.73PC 34:4ME196401--5.73-
PC 34:5; [M-Ac-H]-@5.27PC 34:5ME196402--5.27-
PC 35:0; [M-Ac-H]-@7.83PC 35:0ME196403--7.83-
PC 35:1; [M-Ac-H]-@7.24PC 35:1ME196404--7.24-
PC 35:2; [M-Ac-H]-@6.78PC 35:2ME196405--7.16-
PC 35:2; [M-Ac-H]-@7.16PC 35:2ME196406--7.16-
PC 35:3; [M-Ac-H]-@6.31PC 35:3ME196407--6.31-
PC 35:4; [M-Ac-H]-@6.12PC 35:4ME196408--6.12-
PC 35:5; [M-Ac-H]-@5.67PC 35:5ME196409--5.67-
PC 36:1; [M-Ac-H]-@7.53PC 36:1ME196410--7.53-
PC 36:2; [M-Ac-H]-@5.17PC 36:2ME196412--7.04-
PC 36:2; [M-Ac-H]-@7.04PC 36:2ME196411--7.04-
PC 36:3; [M-Ac-H]-@6.58PC 36:3ME196413--6.74-
PC 36:3; [M-Ac-H]-@6.74PC 36:3ME196414--6.74-
PC 36:4; [M-Ac-H]-@4.01PC 36:4ME196416--6.24-
PC 36:4; [M-Ac-H]-@6.24PC 36:4ME196415--6.24-
PC 36:5; [M-Ac-H]-@5.88PC 36:5ME196417--5.88-
PC 36:6; [M-Ac-H]-@5.60PC 36:6ME196418--5.6-
PC 37:1; [M-Ac-H]-@7.86PC 37:1ME196419--7.86-
PC 37:2; [M-Ac-H]-@7.44PC 37:2ME196420--7.44-
PC 37:3; [M-Ac-H]-@6.99PC 37:3ME196421--6.99-
PC 37:4; [M-Ac-H]-@6.74PC 37:4ME196422--6.74-
PC 37:5; [M-Ac-H]-@6.29PC 37:5ME196423--6.29-
PC 37:6; [M-Ac-H]-@5.96PC 37:6ME196424--5.96-
PC 37:7; [M-Ac-H]-@5.64PC 37:7ME196425--5.64-
PC 38:1; [M-Ac-H]-@8.08PC 38:1ME196426--8.08-
PC 38:2; [M-Ac-H]-@7.69PC 38:2ME196427--7.69-
PC 38:3; [M-Ac-H]-@7.23PC 38:3ME196428--7.34-
PC 38:3; [M-Ac-H]-@7.34PC 38:3ME196429--7.34-
PC 38:4; [M-Ac-H]-@6.89PC 38:4ME196431--7.08-
PC 38:4; [M-Ac-H]-@7.08PC 38:4ME196430--7.08-
PC 38:5; [M-Ac-H]-@6.56PC 38:5ME196432--6.56-
PC 38:6; [M-Ac-H]-@6.19PC 38:6ME196433--6.19-
PC 38:7; [M-Ac-H]-@5.68PC 38:7ME196434--5.68-
PC 39:3; [M-Ac-H]-@7.60PC 39:3ME196435--7.6-
PC 39:4; [M-Ac-H]-@7.41PC 39:4ME196436--7.41-
PC 39:5; [M-Ac-H]-@6.30PC 39:5ME196437--6.3-
PC 39:6; [M-Ac-H]-@6.58PC 39:6ME196438--6.58-
PC 40:4; [M-Ac-H]-@7.50PC 40:4ME196439--7.5-
PC 40:5; [M-Ac-H]-@7.23PC 40:5ME196440--7.23-
PC 40:6; [M-Ac-H]-@6.89PC 40:6ME196441--6.89-
PC 40:7; [M-Ac-H]-@6.38PC 40:7ME196442--6.38-
PC 40:8; [M-Ac-H]-@5.95PC 40:8ME196443--5.95-
PC 40:9; [M-Ac-H]-@5.59PC 40:9ME196444--5.59-
PC 42:10; [M-Ac-H]-@5.87PC 42:10ME196445--5.87-
PC 42:2; [M-Ac-H]-@8.96PC 42:2ME196446--8.96-
PE 32:1; [M-H]-@6.34PE 32:1ME196447--6.34-
PE 33:2; [M-H]-@6.16PE 33:2ME196448--6.16-
PE 34:0; [M-H]-@7.38PE 34:0ME196449--7.38-
PE 34:1; [M-H]-@6.95PE 34:1ME196450--6.95-
PE 34:2; [M-H]-@6.50PE 34:2ME196451--6.5-
PE 34:3; [M-H]-@6.13PE 34:3ME196452--6.13-
PE 35:2; [M-H]-@6.81PE 35:2ME196453--6.81-
PE 36:0; [M-H]-@7.95PE 36:0ME196454--7.95-
PE 36:1; [M-H]-@7.53PE 36:1ME196455--7.58-
PE 36:1; [M-H]-@7.58PE 36:1ME196456--7.58-
PE 36:2; [M-H]-@7.00PE 36:2ME196457--7.11-
PE 36:2; [M-H]-@7.11PE 36:2ME196458--7.11-
PE 36:3; [M-H]-@6.64PE 36:3ME196459--6.64-
PE 36:4; [M-H]-@6.35PE 36:4ME196460--6.35-
PE 36:5; [M-H]-@6.11PE 36:5ME196461--6.11-
PE 37:3; [M-H]-@7.67PE 37:3ME196462--7.67-
PE 37:4; [M-H]-@6.74PE 37:4ME196463--6.74-
PE 37:5; [M-H]-@6.41PE 37:5ME196464--6.41-
PE 38:2; [M-H]-@7.66PE 38:2ME196465--7.66-
PE 38:3; [M-H]-@7.33PE 38:3ME196466--7.33-
PE 38:4; [M-H]-@7.03PE 38:4ME196467--7.12-
PE 38:4; [M-H]-@7.12PE 38:4ME196468--7.12-
PE 38:5; [M-H]-@6.61PE 38:5ME196469--6.61-
PE 38:6; [M-H]-@6.28PE 38:6ME196470--6.28-
PE 39:6; [M-H]-@6.71PE 39:6ME196471--6.71-
PE 40:4; [M-H]-@7.52PE 40:4ME196472--7.52-
PE 40:5; [M-H]-@7.23PE 40:5ME196473--7.23-
PE 40:6; [M-H]-@7.00PE 40:6ME196474--7-
PE 40:7; [M-H]-@6.50PE 40:7ME196475--6.5-
PE 40:8; [M-H]-@6.10PE 40:8ME196476--6.1-
PG 11:0; [M-H]-@1.19PG 11:0ME196477--1.19-
PG 18:0; [M-H]-@10.72PG 18:0ME196478--10.72-
PG 27:4; [M-H]-@3.39PG 27:4ME196479--3.39-
PG 33:0; [M-H]-@6.10PG 33:0ME196480--6.1-
PG 33:1; [M-H]-@6.55PG 33:1ME196481--6.55-
PG 34:0; [M-H]-@6.32PG 34:0ME196482--6.32-
PG 36:0; [M-H]-@6.92PG 36:0ME196483--6.92-
PG 36:2; [M-H]-@6.12PG 36:2ME196484--6.12-
PG 36:3; [M-H]-@7.04PG 36:3ME196485--7.04-
PI 17:0; [M-H]-@0.79PI 17:0ME196486--0.79-
PI 26:4; [M-H]-@9.37PI 26:4ME196487--9.37-
PI 32:1; [M-H]-@5.11PI 32:1ME196488--5.11-
PI 34:1; [M-H]-@5.72PI 34:1ME196489--5.72-
PI 34:2; [M-H]-@5.28PI 34:2ME196490--5.28-
PI 36:2; [M-H]-@5.95PI 36:2ME196491--5.95-
PI 36:4; [M-H]-@5.27PI 36:4ME196492--5.27-
PI 37:4; [M-H]-@5.61PI 37:4ME196493--5.61-
PI 38:3; [M-H]-@6.15PI 38:3ME196494--6.15-
PI 38:4; [M-H]-@5.92PI 38:4ME196495--5.92-
PI 38:5; [M-H]-@5.44PI 38:5ME196496--5.44-
PI 38:6; [M-H]-@5.14PI 38:6ME196497--5.14-
PI 40:5; [M-H]-@6.18PI 40:5ME196498--6.18-
PI 40:6; [M-H]-@5.82PI 40:6ME196499--5.82-
plasmenyl-PE 34:1; [M-H]-@7.27PE P-34:1 or PE O-34:2ME196511--7.27-
plasmenyl-PE 34:2; [M-H]-@6.84PE P-34:2 or PE O-34:3ME196512--6.84-
plasmenyl-PE 36:1; [M-H]-@7.85PE P-36:1 or PE O-36:2ME196513--7.85-
plasmenyl-PE 36:2; [M-H]-@7.42PE P-36:2 or PE O-36:3ME196514--7.42-
plasmenyl-PE 36:3; [M-H]-@6.98PE P-36:3 or PE O-36:4ME196515--6.98-
plasmenyl-PE 36:4; [M-H]-@6.76PE P-36:4 or PE O-36:5ME196516--6.76-
plasmenyl-PE 36:5; [M-H]-@6.41PE P-36:5 or PE O-36:6ME196517--6.41-
plasmenyl-PE 38:1; [M-H]-@8.34PE P-38:1 or PE O-38:2ME196518--8.34-
plasmenyl-PE 38:2; [M-H]-@8.00PE P-38:2 or PE O-38:3ME196519--8-
plasmenyl-PE 38:3; [M-H]-@7.64PE P-38:3 or PE O-38:4ME196520--7.64-
plasmenyl-PE 38:4; [M-H]-@7.39PE P-38:4 or PE O-38:5ME196521--7.39-
plasmenyl-PE 38:5; [M-H]-@6.86PE P-38:5 or PE O-38:6ME196522--6.86-
plasmenyl-PE 38:6; [M-H]-@6.66PE P-38:6 or PE O-38:7ME196523--6.66-
plasmenyl-PE 40:3; [M-H]-@8.12PE P-40:3 or PE O-40:4ME196524--8.12-
plasmenyl-PE 40:4; [M-H]-@7.90PE P-40:4 or PE O-40:5ME196525--7.9-
plasmenyl-PE 40:5; [M-H]-@7.40PE P-40:5 or PE O-40:6ME196526--7.65-
plasmenyl-PE 40:5; [M-H]-@7.65PE P-40:5 or PE O-40:6ME196527--7.65-
plasmenyl-PE 40:6; [M-H]-@7.24PE P-40:6 or PE O-40:7ME196529--7.33-
plasmenyl-PE 40:6; [M-H]-@7.33PE P-40:6 or PE O-40:7ME196528--7.33-
plasmenyl-PE 42:5; [M-H]-@7.97PE P-42:5 or PE O-42:6ME196530--7.97-
plasmenyl-PE 42:6; [M-H]-@7.85PE P-42:6 or PE O-42:7ME196531--7.85-


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]+@11.02CE 16:0ME196532246520-11.02-
CE(16:1); [M+NH4]+@10.73CE 16:1ME196533--10.73-
CE(16:2); [M+NH4]+@10.54CE 16:2ME196534--10.54-
CE(17:1); [M+NH4]+@10.90CE 17:1ME19653524779603-10.9-
CE(18:0); [M+NH4]+@11.35CE 18:0ME196536118246-11.35-
CE(18:1); [M+NH4]+@11.07CE 18:1ME1965375283632-11.07-
CE(18:2); [M+NH4]+@10.87CE 18:2ME1965385287939-11.33-
CE(18:2); [M+NH4]+@11.33CE 18:2ME1965395287939-11.33-
CE(18:3); [M+NH4]+@10.53CE 18:3ME1965406436907-10.53-
CE(18:3); [M+NH4]+@9.33CE 18:3ME1965416436907-10.53-
CE(20:1); [M+NH4]+@11.32CE 20:1ME19654216061337-11.32-
CE(20:2); [M+NH4]+@11.07CE 20:2ME19654316061338-11.07-
CE(20:3); [M+NH4]+@10.82CE 20:3ME19654414274976-10.82-
CE(20:4); [M+NH4]+@10.59CE 20:4ME1965456479222-11.43-
CE(20:4); [M+NH4]+@11.43CE 20:4ME1965466479222-11.43-
CE(20:5); [M+NH4]+@10.42CE 20:5ME19654710372299-10.42-
CE(20:5); [M+NH4]+@9.24CE 20:5ME19654810372299-10.42-
CE(22:4); [M+NH4]+@10.90CE 22:4ME19654916061341-10.9-
CE(22:6); [M+NH4]+@10.52CE 22:6ME19655014274978-10.52-
DG 30:0; [M+NH4]+@7.45DG 30:0ME196551--7.45-
DG 30:2; [M+NH4]+@6.51DG 30:2ME196552--6.51-
DG 32:0; [M+NH4]+@7.99DG 32:0ME196553--7.99-
DG 32:1; [M+NH4]+@7.56DG 32:1ME196554--7.56-
DG 32:2; [M+NH4]+@7.14DG 32:2ME196555--7.14-
DG 33:1; [M+NH4]+@7.78DG 33:1ME196556--7.78-
DG 34:0; [M+NH4]+@8.48DG 34:0ME196557--8.48-
DG 34:2; [M+NH4]+@7.68DG 34:2ME196558--7.68-
DG 34:3; [M+NH4]+@7.28DG 34:3ME196559--7.28-
DG 35:1; [M+NH4]+@8.30DG 35:1ME196560--8.3-
DG 35:2; [M+NH4]+@7.93DG 35:2ME196561--7.93-
DG 36:0; [M+NH4]+@8.93DG 36:0ME196562--8.93-
DG 36:1; [M+NH4]+@8.51DG 36:1ME196564--8.57-
DG 36:1; [M+NH4]+@8.57DG 36:1ME196563--8.57-
DG 36:2; [M+NH4]+@8.13DG 36:2ME196565--8.13-
DG 36:3; [M+NH4]+@7.76DG 36:3ME196566--7.76-
DG 36:4; [M+NH4]+@7.38DG 36:4ME196567--7.38-
DG 36:5; [M+NH4]+@7.07DG 36:5ME196568--7.07-
DG 37:1; [M+NH4]+@8.13DG 37:1ME196569--8.13-
DG 38:1; [M+NH4]+@8.72DG 38:1ME196570--8.72-
DG 38:2; [M+NH4]+@8.62DG 38:2ME196571--8.62-
DG 38:3; [M+NH4]+@8.29DG 38:3ME196572--8.29-
DG 38:4; [M+NH4]+@7.99DG 38:4ME196573--7.99-
DG 38:5; [M+NH4]+@7.71DG 38:5ME196574--7.71-
DG 38:6; [M+NH4]+@7.35DG 38:6ME196575--7.35-
DG 38:7; [M+NH4]+@6.95DG 38:7ME196576--6.95-
DG 40:5; [M+NH4]+@8.12DG 40:5ME196577--8.12-
DG 40:6; [M+NH4]+@7.80DG 40:6ME196578--7.8-
DG 40:7; [M+NH4]+@7.59DG 40:7ME196579--7.59-
DG 40:8; [M+NH4]+@7.22DG 40:8ME196580--7.22-
DG 42:6; [M+NH4]+@10.09DG 42:6ME196581--10.09-
lysoPC 14:0; [M+H]+@1.12LPC 14:0ME196942--1.12-
lysoPC 14:0; [M+Na]+@1.19LPC 14:0ME196943--1.19-
lysoPC 15:0; [M+H]+@1.32LPC 15:0ME19694424779458-1.32-
lysoPC 16:0; [M+H]+@1.68LPC 16:0ME196945--3.16-
lysoPC 16:0; [M+H]+@3.16LPC 16:0ME196946--3.16-
lysoPC 16:0; [M+Na]+@1.54LPC 16:0ME196947--1.54-
lysoPC 16:1; [M+H]+@1.26LPC 16:1ME196948--1.26-
lysoPC 16:1; [M+Na]+@1.33LPC 16:1ME196949--1.33-
lysoPC 17:0; [M+Na]+@2.15LPC 17:0ME19695024779463-2.15-
lysoPC 17:1; [M+H]+@1.54LPC 17:1ME196951--1.54-
lysoPC 18:0; [M+H]+@2.50LPC 18:0ME196952--3-
lysoPC 18:0; [M+H]+@3.00LPC 18:0ME196953--3-
lysoPC 18:0; [M+Na]+@2.35LPC 18:0ME196954--2.35-
lysoPC 18:1; [M+H]+@1.89LPC 18:1ME196955--1.89-
lysoPC 18:2; [M+H]+@1.46LPC 18:2ME196956--1.46-
lysoPC 18:2; [M+Na]+@1.23LPC 18:2ME196957--1.23-
lysoPC 18:3; [M+H]+@1.16LPC 18:3ME196958--1.16-
lysoPC 19:0; [M+H]+@3.00LPC 19:0ME19695924779472-3-
lysoPC 20:0; [M+H]+@3.47LPC 20:0ME19696024779473-3.47-
lysoPC 20:1; [M+H]+@2.66LPC 20:1ME196961--2.66-
lysoPC 20:2; [M+H]+@2.04LPC 20:2ME19696252924053-2.04-
lysoPC 20:3; [M+H]+@1.63LPC 20:3ME196963--1.63-
lysoPC 20:3; [M+Na]+@1.68LPC 20:3ME196964--1.68-
lysoPC 20:4; [M+H]+@1.37LPC 20:4ME196965--1.37-
lysoPC 20:5; [M+H]+@1.11LPC 20:5ME19696611757087-1.11-
lysoPC 22:0; [M+H]+@4.43LPC 22:0ME19696724779479-4.43-
lysoPC 22:1; [M+H]+@3.54LPC 22:1ME196968--3.54-
lysoPC 22:4; [M+H]+@1.93LPC 22:4ME19696952924039-1.93-
lysoPC 22:5; [M+H]+@1.56LPC 22:5ME196970--1.56-
lysoPC 22:6; [M+H]+@1.30LPC 22:6ME19697110415542-1.3-
lysoPC 24:0; [M+H]+@5.32LPC 24:0ME19697224779481-5.32-
lysoPC 24:1; [M+H]+@4.46LPC 24:1ME19697353480477-4.46-
lysoPE 16:0; [M+H]+@1.79LPE 16:0ME196974--1.79-
lysoPE 16:1; [M+H]+@1.32LPE 16:1ME196975--1.32-
lysoPE 18:0; [M+H]+@2.59LPE 18:0ME196976--2.59-
lysoPE 18:1; [M+H]+@1.94LPE 18:1ME196977--1.94-
lysoPE 18:2; [M+H]+@1.42LPE 18:2ME196978--1.42-
lysoPE 20:3; [M+H]+@1.68LPE 20:3ME196979--1.68-
lysoPE 20:4; [M+H]+@1.43LPE 20:4ME196980--1.43-
lysoPE 20:5; [M+H]+@1.15LPE 20:5ME196981--1.15-
lysoPE 22:1; [M+H]+@3.67LPE 22:1ME196982--3.67-
lysoPE 22:5; [M+H]+@1.61LPE 22:5ME196983--1.61-
lysoPE 22:6; [M+H]+@1.34LPE 22:6ME196984--1.34-
MG 17:0; [M+Li]+@3.27MG 17:0ME196582107036-3.27-
MG 18:0; [M+NH4]+@3.81MG 18:0ME19658324699-3.81-
MG 18:1; [M+NH4]+@3.04MG 18:1ME196584--3.04-
MG 18:2; [M+NH4]+@1.06MG 18:2ME1965855283469-1.06-
PA 34:0; [M+Na]+@6.97PA 34:0ME196586--6.97-
PC 15:0; [M+H]+@1.25PC 15:0ME196587--1.25-
PC 19:2; [M+H]+@1.52PC 19:2ME196588--1.52-
PC 21:4; [M+H]+@1.46PC 21:4ME196589--1.46-
PC 26:0; [M+H]+@4.63PC 26:0ME196590--4.63-
PC 28:0; [M+H]+@5.41PC 28:0ME196591--5.41-
PC 28:0; [M+Na]+@5.40PC 28:0ME196592--5.4-
PC 28:1; [M+H]+@4.77PC 28:1ME196593--4.77-
PC 29:0; [M+H]+@5.73PC 29:0ME196594--5.73-
PC 30:0; [M+Na]+@6.13PC 30:0ME196595--6.13-
PC 30:1; [M+H]+@5.62PC 30:1ME196596--5.62-
PC 30:1; [M+Na]+@5.65PC 30:1ME196597--5.65-
PC 30:2; [M+H]+@5.06PC 30:2ME196598--5.06-
PC 31:0; [M+H]+@6.32PC 31:0ME196599--6.32-
PC 31:0; [M+Na]+@5.65PC 31:0ME196600--5.65-
PC 31:1; [M+H]+@5.91PC 31:1ME196601--5.91-
PC 32:0; [M+H]+@6.72PC 32:0ME196602--6.72-
PC 32:1; [M+H]+@6.73PC 32:1ME196603--6.73-
PC 32:1; [M+Na]+@6.22PC 32:1ME196604--6.22-
PC 32:2; [M+H]+@5.93PC 32:2ME196605--5.93-
PC 32:2; [M+Na]+@5.76PC 32:2ME196606--5.76-
PC 32:3; [M+H]+@5.33PC 32:3ME196607--5.33-
PC 32:4; [M+H]+@5.60PC 32:4ME196608--5.6-
PC 33:0; [M+H]+@6.37PC 33:0ME196609--6.37-
PC 33:2; [M+H]+@5.97PC 33:2ME196610--5.97-
PC 33:2; [M+Na]+@6.13PC 33:2ME196611--6.13-
PC 33:3; [M+H]+@5.69PC 33:3ME196612--5.69-
PC 33:4; [M+H]+@6.14PC 33:4ME196613--6.14-
PC 34:0; [M+H]+@7.40PC 34:0ME196614--7.4-
PC 34:0; [M+Na]+@7.54PC 34:0ME196615--7.54-
PC 34:1; [M+H]+@6.82PC 34:1ME196616--6.82-
PC 34:1; [M+Na]+@12.52PC 34:1ME196618--12.52-
PC 34:1; [M+Na]+@6.91PC 34:1ME196617--12.52-
PC 34:2; [M+H]+@4.36PC 34:2ME196619--5.51-
PC 34:2; [M+H]+@5.18PC 34:2ME196620--5.51-
PC 34:2; [M+H]+@5.51PC 34:2ME196621--5.51-
PC 34:2; [M+Na]+@9.06PC 34:2ME196622--9.06-
PC 34:3; [M+Na]+@5.88PC 34:3ME196623--5.88-
PC 34:4; [M+H]+@5.52PC 34:4ME196625--6.22-
PC 34:4; [M+H]+@6.22PC 34:4ME196624--6.22-
PC 34:4; [M+Na]+@5.72PC 34:4ME196626--5.72-
PC 34:5; [M+H]+@5.39PC 34:5ME196628--5.77-
PC 34:5; [M+H]+@5.77PC 34:5ME196627--5.77-
PC 35:0; [M+H]+@7.66PC 35:0ME196629--7.66-
PC 35:1; [M+H]+@7.03PC 35:1ME196630--7.03-
PC 35:3; [M+H]+@6.22PC 35:3ME196631--6.22-
PC 35:4; [M+H]+@5.91PC 35:4ME196632--5.91-
PC 35:5; [M+H]+@5.67PC 35:5ME196633--6.49-
PC 35:5; [M+H]+@6.49PC 35:5ME196634--6.49-
PC 35:6; [M+H]+@5.65PC 35:6ME196635--5.65-
PC 36:1; [M+H]+@7.41PC 36:1ME196636--7.41-
PC 36:2; [M+H]+@5.05PC 36:2ME196637--5.05-
PC 36:2; [M+Na]+@9.01PC 36:2ME196638--9.01-
PC 36:3; [M+H]+@8.32PC 36:3ME196640--9.62-
PC 36:3; [M+H]+@9.62PC 36:3ME196639--9.62-
PC 36:4; [M+H]+@5.22PC 36:4ME196641--9.12-
PC 36:4; [M+H]+@6.08PC 36:4ME196642--9.12-
PC 36:4; [M+H]+@7.89PC 36:4ME196645--9.12-
PC 36:4; [M+H]+@8.67PC 36:4ME196644--9.12-
PC 36:4; [M+H]+@9.12PC 36:4ME196643--9.12-
PC 36:4; [M+Na]+@6.17PC 36:4ME196646--6.17-
PC 36:5; [M+H]+@5.79PC 36:5ME196647--9.13-
PC 36:5; [M+H]+@9.13PC 36:5ME196648--9.13-
PC 36:5; [M+Na]+@6.02PC 36:5ME196649--6.02-
PC 36:6; [M+H]+@5.52PC 36:6ME196650--5.92-
PC 36:6; [M+H]+@5.92PC 36:6ME196651--5.92-
PC 36:6; [M+Na]+@5.61PC 36:6ME196652--5.61-
PC 37:0; [M+H]+@7.35PC 37:0ME196653--7.35-
PC 37:1; [M+H]+@7.83PC 37:1ME196654--7.83-
PC 37:2; [M+H]+@7.41PC 37:2ME196655--7.41-
PC 37:3; [M+H]+@7.14PC 37:3ME196656--7.14-
PC 37:5; [M+H]+@6.09PC 37:5ME196658--7.24-
PC 37:5; [M+H]+@7.24PC 37:5ME196657--7.24-
PC 37:6; [M+H]+@5.81PC 37:6ME196659--5.81-
PC 37:7; [M+H]+@6.50PC 37:7ME196660--6.5-
PC 38:1; [M+H]+@8.06PC 38:1ME196661--8.06-
PC 38:3; [M+H]+@7.26PC 38:3ME196662--8.98-
PC 38:3; [M+H]+@8.98PC 38:3ME196663--8.98-
PC 38:4; [M+H]+@5.34PC 38:4ME196665--8.7-
PC 38:4; [M+H]+@6.99PC 38:4ME196664--8.7-
PC 38:4; [M+H]+@8.70PC 38:4ME196666--8.7-
PC 38:5; [M+H]+@7.76PC 38:5ME196667--7.76-
PC 38:6; [M+H]+@5.55PC 38:6ME196668--5.55-
PC 38:6; [M+Na]+@6.19PC 38:6ME196669--6.19-
PC 38:7; [M+H]+@5.66PC 38:7ME196670--5.66-
PC 38:7; [M+Na]+@5.65PC 38:7ME196671--5.65-
PC 38:8; [M+H]+@5.41PC 38:8ME196672--5.41-
PC 38:9; [M+H]+@5.61PC 38:9ME196673--5.61-
PC 39:1; [M+Na]+@7.76PC 39:1ME196674--7.76-
PC 39:2; [M+H]+@6.82PC 39:2ME196675--6.82-
PC 39:3; [M+H]+@6.83PC 39:3ME196676--7.53-
PC 39:3; [M+H]+@7.53PC 39:3ME196677--7.53-
PC 39:4; [M+H]+@6.95PC 39:4ME196678--7.36-
PC 39:4; [M+H]+@7.36PC 39:4ME196679--7.36-
PC 39:5; [M+H]+@6.82PC 39:5ME196680--6.82-
PC 39:6; [M+H]+@6.27PC 39:6ME196681--6.27-
PC 39:7; [M+H]+@6.12PC 39:7ME196682--6.12-
PC 40:10; [M+H]+@5.71PC 40:10ME196683--5.71-
PC 40:2; [M+H]+@8.26PC 40:2ME196684--8.26-
PC 40:3; [M+H]+@7.82PC 40:3ME196685--7.82-
PC 40:4; [M+H]+@6.93PC 40:4ME196686--6.93-
PC 40:5; [M+H]+@7.30PC 40:5ME196687--7.3-
PC 40:5; [M+Na]+@7.15PC 40:5ME196688--7.15-
PC 40:6; [M+H]+@9.00PC 40:6ME196689--9-
PC 40:6; [M+Na]+@6.93PC 40:6ME196690--6.93-
PC 40:7; [M+H]+@6.18PC 40:7ME196691--6.18-
PC 40:8; [M+H]+@5.95PC 40:8ME196692--5.95-
PC 40:8; [M+Na]+@5.89PC 40:8ME196693--5.89-
PC 40:9; [M+H]+@5.55PC 40:9ME196695--6.23-
PC 40:9; [M+H]+@6.23PC 40:9ME196694--6.23-
PC 41:4; [M+H]+@7.33PC 41:4ME196696--7.33-
PC 41:5; [M+H]+@6.77PC 41:5ME196697--6.77-
PC 42:10; [M+H]+@5.85PC 42:10ME196699--5.85-
PC 42:11; [M+H]+@5.91PC 42:11ME196700--5.91-
PC 42:1; [M+H]+@9.20PC 42:1ME196698--9.2-
PC 42:2; [M+H]+@8.86PC 42:2ME196701--8.86-
PC 42:4; [M+H]+@8.24PC 42:4ME196702--8.24-
PC 42:5; [M+H]+@7.65PC 42:5ME196703--7.65-
PC 42:7; [M+H]+@6.82PC 42:7ME196704--6.82-
PC 42:8; [M+H]+@6.53PC 42:8ME196705--6.53-
PC 42:9; [M+H]+@6.11PC 42:9ME196706--6.11-
PC 44:2; [M+H]+@9.63PC 44:2ME196707--9.63-
PC 44:4; [M+H]+@8.81PC 44:4ME196708--8.81-
PE 21:4; [M+H]+@1.48LPE 21:4ME196709--1.48-
PE 34:0; [M+Na]+@7.41PE 34:0ME196710--7.41-
PE 34:1; [M+H]+@6.94PE 34:1ME196711--6.94-
PE 34:2; [M+H]+@6.50PE 34:2ME196712--6.5-
PE 34:2; [M+Na]+@6.06PE 34:2ME196713--6.06-
PE 36:1; [M+H]+@7.52PE 36:1ME196714--7.52-
PE 36:2; [M+H]+@7.12PE 36:2ME196715--7.12-
PE 36:3; [M+H]+@6.62PE 36:3ME196716--6.62-
PE 36:3; [M+Na]+@6.35PE 36:3ME196717--6.35-
PE 36:4; [M+H]+@6.44PE 36:4ME196718--6.44-
PE 36:5; [M+H]+@6.08PE 36:5ME196719--6.08-
PE 38:3; [M+H]+@7.33PE 38:3ME196720--7.33-
PE 38:4; [M+H]+@7.09PE 38:4ME196721--7.09-
PE 38:5; [M+H]+@6.60PE 38:5ME196722--6.6-
PE 38:6; [M+H]+@6.29PE 38:6ME196723--6.29-
PE 40:6; [M+H]+@6.98PE 40:6ME196724--6.98-
PE 40:7; [M+H]+@6.49PE 40:7ME196725--6.49-
plasmenyl-PC 18:0; [M+Na]+@1.93LPC P-18:0 or LPC O-18:1ME196985--1.93-
plasmenyl-PC 38:0; [M+Na]+@8.18PC P-38:0 or PC O-38:1ME196986--8.18-
plasmenyl-PC 38:1; [M+Na]+@7.79PC P-38:1 or PC O-38:2ME196987--7.79-
plasmenyl-PC 44:4; [M+Na]+@8.63PC P-44:4 or PC O-44:5ME196988--8.63-
plasmenyl-PE 34:1; [M+H]+@7.26PE P-34:1 or PE O-34:2ME196989--7.26-
plasmenyl-PE 34:2; [M+H]+@6.84PE P-34:2 or PE O-34:3ME196990--6.84-
plasmenyl-PE 36:1; [M+H]+@7.83PE P-36:1 or PE O-36:2ME196991--7.83-
plasmenyl-PE 36:2; [M+H]+@7.43PE P-36:2 or PE O-36:3ME196992--7.43-
plasmenyl-PE 36:3; [M+H]+@6.98PE P-36:3 or PE O-36:4ME196993--6.98-
plasmenyl-PE 36:4; [M+H]+@6.76PE P-36:4 or PE O-36:5ME196994--6.76-
plasmenyl-PE 36:5; [M+H]+@6.41PE P-36:5 or PE O-36:6ME196995--6.41-
plasmenyl-PE 38:1; [M+H]+@8.27PE P-38:1 or PE O-38:2ME196996--8.27-
plasmenyl-PE 38:2; [M+H]+@7.99PE P-38:2 or PE O-38:3ME196997--7.99-
plasmenyl-PE 38:3; [M+H]+@7.65PE P-38:3 or PE O-38:4ME196998--7.65-
plasmenyl-PE 38:4; [M+H]+@7.34PE P-38:4 or PE O-38:5ME196999--7.34-
plasmenyl-PE 38:5; [M+H]+@6.79PE P-38:5 or PE O-38:6ME197000--6.79-
plasmenyl-PE 38:6; [M+H]+@6.67PE P-38:6 or PE O-38:7ME197001--6.67-
plasmenyl-PE 40:4; [M+H]+@7.88PE P-40:4 or PE O-40:5ME197002--7.88-
plasmenyl-PE 40:5; [M+H]+@7.46PE P-40:5 or PE O-40:6ME197003--7.46-
plasmenyl-PE 40:6; [M+H]+@7.28PE P-40:6 or PE O-40:7ME197004--7.28-
plasmenyl-PE 42:6; [M+H]+@7.84PE P-42:6 or PE O-42:7ME197005--7.84-
SM 21:0; [M]+@1.92SM 18:1;O2/21:0ME196726--1.92-
SM 28:1; [M]+@3.67SM 28:1;O2ME196727--3.67-
SM 30:0; [M]+@4.77SM 30:0;O2ME19672846891775-4.77-
SM 30:1; [M]+@4.42SM 30:1;O2ME196730--4.42-
SM 30:1; [M+Na]+@4.49SM 30:1;O2ME196729--4.49-
SM 31:1; [M]+@4.86SM 31:1;O2ME196731--4.86-
SM 32:0; [M]+@5.54SM 32:0;O2ME19673244260138-5.54-
SM 32:1; [M]+@5.25SM 32:1;O2ME19673411433862-5.25-
SM 32:1; [M+Na]+@5.22SM 32:1;O2ME19673311433862-5.22-
SM 32:2; [M]+@4.59SM 32:2;O2ME196736--4.59-
SM 32:2; [M+Na]+@4.63SM 32:2;O2ME196735--4.63-
SM 33:0; [M]+@5.92SM 33:0;O2ME196737--5.92-
SM 33:1; [M]+@5.62SM 33:1;O2ME19673952931139-5.62-
SM 33:1; [M+Na]+@5.65SM 33:1;O2ME19673852931139-5.65-
SM 33:2; [M]+@5.11SM 33:2;O2ME196740--5.11-
SM 34:0; [M]+@6.23SM 34:0;O2ME1967419939965-6.23-
SM 34:1; [M]+@5.92SM 34:1;O2ME196744--5.92-
SM 34:1; [M+Na]+@5.35SM 34:1;O2ME196743--5.97-
SM 34:1; [M+Na]+@5.97SM 34:1;O2ME196742--5.97-
SM 34:2; [M]+@5.44SM 34:2;O2ME196746--5.44-
SM 34:2; [M+Na]+@5.39SM 34:2;O2ME196745--5.39-
SM 35:1; [M+Na]+@6.61SM 35:1;O2ME196747--6.61-
SM 35:2; [M]+@5.77SM 35:2;O2ME196748--5.77-
SM 36:0; [M]+@6.89SM 36:0;O2ME19674952931167-6.89-
SM 36:1; [M]+@6.58SM 36:1;O2ME19675144260139-6.58-
SM 36:1; [M+Na]+@6.67SM 36:1;O2ME19675044260139-6.67-
SM 36:2; [M]+@6.11SM 36:2;O2ME196753--6.11-
SM 36:2; [M+Na]+@6.18SM 36:2;O2ME196752--6.18-
SM 37:0; [M]+@9.33SM 37:0;O2ME196754--9.33-
SM 37:1; [M]+@6.99SM 37:1;O2ME196756--9.13-
SM 37:1; [M]+@9.13SM 37:1;O2ME196755--9.13-
SM 37:2; [M]+@6.49SM 37:2;O2ME196757--6.49-
SM 38:0; [M]+@6.59SM 38:0;O2ME19675844260131-6.59-
SM 38:1; [M]+@7.32SM 38:1;O2ME196760--7.32-
SM 38:1; [M+Na]+@7.35SM 38:1;O2ME196759--7.35-
SM 38:2; [M]+@6.75SM 38:2;O2ME196761--6.75-
SM 38:4; [M]+@5.84SM 38:4;O2ME196762--5.84-
SM 38:5; [M]+@5.36SM 38:5;O2ME196763--5.36-
SM 39:1; [M]+@7.61SM 39:1;O2ME196765--7.61-
SM 39:1; [M+Na]+@7.70SM 39:1;O2ME196764--7.7-
SM 39:2; [M]+@7.15SM 39:2;O2ME196767--9.23-
SM 39:2; [M]+@9.23SM 39:2;O2ME196766--9.23-
SM 39:4; [M]+@6.69SM 39:4;O2ME196768--6.69-
SM 40:1; [M]+@7.21SM 40:1;O2ME196770--7.87-
SM 40:1; [M]+@7.87SM 40:1;O2ME196771--7.87-
SM 40:1; [M+Na]+@7.90SM 40:1;O2ME196769--7.9-
SM 40:2; [M]+@6.56SM 40:2;O2ME196774--7.38-
SM 40:2; [M]+@7.38SM 40:2;O2ME196773--7.38-
SM 40:2; [M+Na]+@7.43SM 40:2;O2ME196772--7.43-
SM 40:4; [M]+@6.43SM 40:4;O2ME196775--6.43-
SM 40:5; [M]+@6.09SM 40:5;O2ME196776--6.09-
SM 41:1; [M]+@8.15SM 41:1;O2ME196778--8.15-
SM 41:1; [M+Na]+@8.24SM 41:1;O2ME196777--8.24-
SM 41:2; [M]+@7.73SM 41:2;O2ME196780--7.73-
SM 41:2; [M+Na]+@7.80SM 41:2;O2ME196779--7.8-
SM 41:4; [M]+@6.77SM 41:4;O2ME196782--7.71-
SM 41:4; [M]+@7.71SM 41:4;O2ME196781--7.71-
SM 41:5; [M]+@7.22SM 41:5;O2ME196783--7.22-
SM 42:1; [M]+@8.44SM 42:1;O2ME19678544260133-8.44-
SM 42:1; [M+Na]+@8.49SM 42:1;O2ME19678444260133-8.49-
SM 42:2; [M]+@7.93SM 42:2;O2ME196787--7.93-
SM 42:2; [M+Na]+@7.99SM 42:2;O2ME196786--7.99-
SM 42:4; [M]+@7.01SM 42:4;O2ME196788--7.01-
SM 42:5; [M]+@6.67SM 42:5;O2ME196790--7.43-
SM 42:5; [M]+@7.43SM 42:5;O2ME196789--7.43-
SM 43:1; [M]+@8.67SM 43:1;O2ME196792--8.67-
SM 43:1; [M+Na]+@8.69SM 43:1;O2ME196791--8.69-
SM 43:2; [M]+@8.10SM 43:2;O2ME196794--8.1-
SM 43:2; [M+Na]+@8.10SM 43:2;O2ME196793--8.1-
SM 43:4; [M]+@7.57SM 43:4;O2ME196795--7.57-
SM 43:5; [M]+@7.46SM 43:5;O2ME196796--7.46-
SM 44:1; [M]+@9.00SM 44:1;O2ME196797--9-
SM 44:2; [M]+@8.49SM 44:2;O2ME196798--8.49-
TG 40:0; [M+Na]+@9.53TG 40:0ME196800--9.53-
TG 40:0; [M+NH4]+@9.55TG 40:0ME196799--9.55-
TG 40:1; [M+NH4]+@9.25TG 40:1ME196801--9.25-
TG 42:0; [M+Na]+@9.84TG 42:0ME196803--9.84-
TG 42:0; [M+NH4]+@9.82TG 42:0ME196802--9.82-
TG 42:1; [M+NH4]+@9.60TG 42:1ME196804--9.6-
TG 42:2; [M+NH4]+@9.26TG 42:2ME196805--9.26-
TG 44:1; [M+Na]+@9.89TG 44:1ME196807--9.89-
TG 44:1; [M+NH4]+@9.85TG 44:1ME196806--9.85-
TG 44:2; [M+NH4]+@9.63TG 44:2ME196808--9.63-
TG 46:0; [M+NH4]+@10.37TG 46:0ME196809--10.37-
TG 46:1; [M+Na]+@10.14TG 46:1ME196811--10.14-
TG 46:1; [M+NH4]+@10.13TG 46:1ME196810--10.13-
TG 46:2; [M+NH4]+@9.89TG 46:2ME196812--9.89-
TG 46:3; [M+NH4]+@9.68TG 46:3ME196813--9.68-
TG 48:0; [M+NH4]+@10.62TG 48:0ME196814--10.62-
TG 48:1; [M+Na]+@10.39TG 48:1ME196816--10.39-
TG 48:1; [M+NH4]+@10.36TG 48:1ME196815--10.36-
TG 48:2; [M+NH4]+@10.15TG 48:2ME196817--10.15-
TG 48:3; [M+NH4]+@9.93TG 48:3ME196818--9.93-
TG 49:0; [M+NH4]+@10.76TG 49:0ME196819--10.76-
TG 49:1; [M+NH4]+@10.53TG 49:1ME196820--10.53-
TG 49:2; [M+NH4]+@10.31TG 49:2ME196821--10.31-
TG 49:3; [M+NH4]+@10.12TG 49:3ME196822--10.12-
TG 49:4; [M+NH4]+@9.90TG 49:4ME196823--9.9-
TG 50:0; [M+Na]+@12.53TG 50:0ME196825--12.53-
TG 50:0; [M+NH4]+@10.85TG 50:0ME196824--10.85-
TG 50:1; [M+Na]+@10.51TG 50:1ME196827--10.51-
TG 50:1; [M+NH4]+@10.59TG 50:1ME196826--10.59-
TG 50:2; [M+NH4]+@10.38TG 50:2ME196828--11.33-
TG 50:2; [M+NH4]+@11.33TG 50:2ME196829--11.33-
TG 50:3; [M+NH4]+@10.18TG 50:3ME196830--10.18-
TG 50:4; [M+NH4]+@9.99TG 50:4ME196831--9.99-
TG 50:5; [M+NH4]+@9.79TG 50:5ME196832--9.79-
TG 51:1; [M+NH4]+@10.76TG 51:1ME196833--10.76-
TG 51:2; [M+NH4]+@10.56TG 51:2ME196834--10.56-
TG 51:3; [M+NH4]+@10.36TG 51:3ME196835--10.36-
TG 51:4; [M+NH4]+@10.17TG 51:4ME196836--10.17-
TG 51:5; [M+NH4]+@9.98TG 51:5ME196837--9.98-
TG 51:6; [M+NH4]+@9.77TG 51:6ME196838--9.77-
TG 52:0; [M+Na]+@11.13TG 52:0ME196840--11.13-
TG 52:0; [M+NH4]+@11.06TG 52:0ME196839--11.06-
TG 52:1; [M+Na]+@10.90TG 52:1ME196842--10.9-
TG 52:1; [M+NH4]+@10.84TG 52:1ME196841--10.84-
TG 52:2; [M+NH4]+@10.63TG 52:2ME196843--10.63-
TG 52:3; [M+NH4]+@10.44TG 52:3ME196844--11.31-
TG 52:3; [M+NH4]+@11.31TG 52:3ME196845--11.31-
TG 52:4; [M+NH4]+@10.24TG 52:4ME196846--10.24-
TG 52:5; [M+Na]+@10.12TG 52:5ME196848--10.12-
TG 52:5; [M+NH4]+@10.06TG 52:5ME196847--10.06-
TG 52:6; [M+Na]+@9.88TG 52:6ME196850--9.88-
TG 52:6; [M+NH4]+@9.91TG 52:6ME196849--9.91-
TG 52:7; [M+NH4]+@9.72TG 52:7ME196851--9.72-
TG 53:0; [M+NH4]+@11.22TG 53:0ME196852--11.22-
TG 53:1; [M+NH4]+@10.99TG 53:1ME196853--10.99-
TG 53:2; [M+NH4]+@10.80TG 53:2ME196854--10.8-
TG 53:3; [M+NH4]+@10.60TG 53:3ME196855--10.6-
TG 53:4; [M+NH4]+@10.41TG 53:4ME196856--10.41-
TG 53:5; [M+NH4]+@10.22TG 53:5ME196857--10.22-
TG 53:6; [M+NH4]+@10.05TG 53:6ME196858--10.05-
TG 53:7; [M+NH4]+@9.88TG 53:7ME196859--9.88-
TG 54:0; [M+NH4]+@11.34TG 54:0ME196860--11.34-
TG 54:1; [M+Na]+@11.15TG 54:1ME196862--11.15-
TG 54:1; [M+NH4]+@11.11TG 54:1ME196861--11.11-
TG 54:2; [M+Na]+@10.97TG 54:2ME196864--10.97-
TG 54:2; [M+NH4]+@10.85TG 54:2ME196863--10.85-
TG 54:3; [M+Na]+@10.74TG 54:3ME196866--10.74-
TG 54:3; [M+NH4]+@10.67TG 54:3ME196865--10.67-
TG 54:4; [M+NH4]+@10.50TG 54:4ME196868--11.23-
TG 54:4; [M+NH4]+@11.23TG 54:4ME196867--11.23-
TG 54:5; [M+NH4]+@10.29TG 54:5ME196869--10.29-
TG 54:6; [M+NH4]+@10.12TG 54:6ME196870--10.12-
TG 54:7; [M+NH4]+@9.97TG 54:7ME196871--9.97-
TG 54:8; [M+Na]+@9.78TG 54:8ME196873--9.78-
TG 54:8; [M+NH4]+@9.80TG 54:8ME196872--9.8-
TG 54:9; [M+NH4]+@9.60TG 54:9ME196874--9.6-
TG 55:1; [M+NH4]+@11.25TG 55:1ME196875--11.25-
TG 55:2; [M+NH4]+@11.01TG 55:2ME196876--11.01-
TG 55:3; [M+NH4]+@10.85TG 55:3ME196877--10.85-
TG 55:4; [M+NH4]+@10.64TG 55:4ME196878--10.64-
TG 55:5; [M+NH4]+@10.58TG 55:5ME196879--10.58-
TG 55:6; [M+NH4]+@10.38TG 55:6ME196880--10.38-
TG 55:7; [M+NH4]+@10.17TG 55:7ME196881--10.17-
TG 55:8; [M+NH4]+@9.99TG 55:8ME196882--9.99-
TG 55:9; [M+NH4]+@9.81TG 55:9ME196883--9.81-
TG 56:0; [M+NH4]+@11.62TG 56:0ME196884--11.62-
TG 56:10; [M+NH4]+@9.74TG 56:10ME196886--9.74-
TG 56:11; [M+NH4]+@9.60TG 56:11ME196887--9.6-
TG 56:1; [M+NH4]+@11.36TG 56:1ME196885--11.36-
TG 56:2; [M+NH4]+@11.12TG 56:2ME196888--11.12-
TG 56:3; [M+NH4]+@10.94TG 56:3ME196889--10.94-
TG 56:4; [M+NH4]+@10.79TG 56:4ME196890--10.79-
TG 56:5; [M+NH4]+@10.63TG 56:5ME196891--10.63-
TG 56:6; [M+NH4]+@10.46TG 56:6ME196892--10.46-
TG 56:7; [M+NH4]+@10.30TG 56:7ME196893--10.3-
TG 56:8; [M+NH4]+@10.08TG 56:8ME196894--10.08-
TG 56:9; [M+NH4]+@9.89TG 56:9ME196895--9.89-
TG 57:10; [M+NH4]+@9.82TG 57:10ME196897--9.82-
TG 57:1; [M+NH4]+@11.50TG 57:1ME196896--11.5-
TG 57:2; [M+NH4]+@11.27TG 57:2ME196898--11.27-
TG 57:3; [M+NH4]+@11.11TG 57:3ME196899--11.11-
TG 57:6; [M+NH4]+@10.59TG 57:6ME196900--10.59-
TG 57:7; [M+NH4]+@10.38TG 57:7ME196901--10.38-
TG 57:8; [M+NH4]+@10.23TG 57:8ME196902--10.23-
TG 58:10; [M+NH4]+@10.01TG 58:10ME196904--10.01-
TG 58:11; [M+Na]+@9.85TG 58:11ME196906--9.85-
TG 58:11; [M+NH4]+@9.81TG 58:11ME196905--9.81-
TG 58:12; [M+NH4]+@9.66TG 58:12ME196907--9.66-
TG 58:13; [M+NH4]+@9.39TG 58:13ME196908--9.39-
TG 58:1; [M+NH4]+@11.64TG 58:1ME196903--11.64-
TG 58:2; [M+NH4]+@11.39TG 58:2ME196909--11.39-
TG 58:3; [M+NH4]+@11.13TG 58:3ME196911--11.22-
TG 58:3; [M+NH4]+@11.22TG 58:3ME196910--11.22-
TG 58:4; [M+NH4]+@11.03TG 58:4ME196912--11.03-
TG 58:5; [M+NH4]+@10.86TG 58:5ME196913--10.86-
TG 58:6; [M+NH4]+@10.65TG 58:6ME196914--10.65-
TG 58:7; [M+NH4]+@10.52TG 58:7ME196915--10.52-
TG 58:8; [M+NH4]+@10.38TG 58:8ME196916--10.38-
TG 58:9; [M+NH4]+@10.21TG 58:9ME196917--10.21-
TG 59:3; [M+NH4]+@11.32TG 59:3ME196918--11.32-
TG 60:10; [M+NH4]+@10.27TG 60:10ME196920--10.27-
TG 60:11; [M+NH4]+@10.19TG 60:11ME196921--10.19-
TG 60:12; [M+NH4]+@9.94TG 60:12ME196922--9.94-
TG 60:13; [M+NH4]+@9.78TG 60:13ME196923--9.78-
TG 60:14; [M+NH4]+@9.62TG 60:14ME196924--9.62-
TG 60:1; [M+NH4]+@11.91TG 60:1ME196919--11.91-
TG 60:2; [M+NH4]+@11.66TG 60:2ME196925--11.66-
TG 60:3; [M+NH4]+@11.42TG 60:3ME196926--11.42-
TG 60:4; [M+NH4]+@11.22TG 60:4ME196927--11.22-
TG 60:5; [M+NH4]+@11.15TG 60:5ME196928--11.15-
TG 60:6; [M+NH4]+@10.89TG 60:6ME196929--10.89-
TG 60:8; [M+NH4]+@10.59TG 60:8ME196930--10.59-
TG 60:9; [M+NH4]+@10.43TG 60:9ME196931--10.43-
TG 61:2; [M+NH4]+@11.83TG 61:2ME196932--11.83-
TG 62:11; [M+NH4]+@10.37TG 62:11ME196934--10.37-
TG 62:12; [M+NH4]+@10.15TG 62:12ME196935--10.15-
TG 62:13; [M+NH4]+@10.01TG 62:13ME196936--10.01-
TG 62:14; [M+NH4]+@9.88TG 62:14ME196937--9.88-
TG 62:15; [M+NH4]+@9.72TG 62:15ME196938--9.72-
TG 62:1; [M+NH4]+@12.30TG 62:1ME196933--12.3-
TG 62:2; [M+NH4]+@11.97TG 62:2ME196939--11.97-
TG 62:3; [M+NH4]+@11.74TG 62:3ME196940--11.74-
TG 64:17; [M+NH4]+@9.64TG 64:17ME1969419546534-9.64-


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