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Analysis: None (Direct infusion) POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
PA 30:1PA 30:1ME812435-C00416-636.4
PA 30:2PA 30:2ME812436-C00416-634.4
PA 32:0PA 32:0ME812437-C00416-666.4
PA 32:1PA 32:1ME812438-C00416-664.4
PA 32:2PA 32:2ME812439-C00416-662.4
PA 32:3PA 32:3ME812440-C00416-660.4
PA 34:1PA 34:1ME812441-C00416-692.4
PA 34:2PA 34:2ME812442-C00416-690.4
PA 34:3PA 34:3ME812443-C00416-688.4
PA 36:0PA 36:0ME812444-C00416-722.5
PA 36:1PA 36:1ME812445-C00416-720.5
PA 36:2PA 36:2ME812446-C00416-718.4
PA 36:3PA 36:3ME812447-C00416-716.4
PA 36:6PA 36:6ME812448-C00416-710.4
PA 37:4 (IS)PA 37:4ME812434-C00416-728.5
PA 38:2PA 38:2ME812449-C00416-746.5
PA 38:3PA 38:3ME812450-C00416-744.5
PA 38:4PA 38:4ME812451-C00416-742.5
PA 40:8PA 40:8ME812452-C00416-762.5
PA 40:9PA 40:9ME812453-C00416-760.5
PC 30:0PC 30:0ME812277-C00157-706.5
PC 32:0PC 32:0ME812281-C00157-734.5
PC 32:1PC 32:1ME812282-C00157-732.5
PC 32:2PC 32:2ME812283-C00157-730.5
PC 32:3PC 32:3ME812284-C00157-728.5
PC 34:1PC 34:1ME812288-C00157-760.5
PC 34:2PC 34:2ME812289-C00157-758.5
PC 34:3PC 34:3ME812290-C00157-756.5
PC 34:4PC 34:4ME812291-C00157-754.5
PC 36:0PC 36:0ME812296-C00157-790.5
PC 36:1PC 36:1ME812297-C00157-788.5
PC 36:2PC 36:2ME812298-C00157-786.5
PC 36:3PC 36:3ME812299-C00157-784.5
PC 36:4PC 36:4ME812300-C00157-782.5
PC 36:5PC 36:5ME812301-C00157-780.5
PC 36:6PC 36:6ME812302-C00157-778.5
PC 37:4 (IS)PC 37:4ME812276-C00157-796.5
PC 38:2PC 38:2ME812303-C00157-814.5
PC 38:3PC 38:3ME812304-C00157-812.5
PC 38:4PC 38:4ME812305-C00157-810.5
PC 38:5PC 38:5ME812306-C00157-808.5
PC 38:6PC 38:6ME812307-C00157-806.5
PC 38:7PC 38:7ME812308-C00157-804.5
PC 40:3PC 40:3ME812309-C00157-840.5
PC 40:4PC 40:4ME812310-C00157-838.5
PC 40:5PC 40:5ME812311-C00157-836.5
PC 40:6PC 40:6ME812312-C00157-834.5
PC 40:7PC 40:7ME812313-C00157-832.5
PC 40:8PC 40:8ME812314-C00157-830.5
PC 40:9PC 40:9ME812315-C00157-828.5
PC O-32:0PC O-32:0ME812278-C00157-720.5
PC O-32:1/P-32:0-ME812279-C05212/C00958-718.5
PC O-32:2/P-32:1-ME812280-C05212/C00958-716.5
PC O-34:0PC O-34:0ME812285-C00157-748.5
PC O-34:1/P-34:0-ME812286-C05212/C00958-746.5
PC O-34:2/P-34:1-ME812287-C05212/C00958-744.5
PC O-36:1/P-36:0-ME812292-C05212/C00958-774.5
PC O-36:2/P-36:1-ME812293-C05212/C00958-772.5
PC O-36:3/P-36:2-ME812294-C05212/C00958-770.5
PC O-36:4/P-36:3-ME812295-C05212/C00958-768.5
PE 32:0PE 32:0ME812317-C00350-692.4
PE 32:1PE 32:1ME812318-C00350-690.4
PE 32:2PE 32:2ME812319-C00350-688.4
PE 32:3PE 32:3ME812320-C00350-686.4
PE 34:1PE 34:1ME812324-C00350-718.5
PE 34:2PE 34:2ME812325-C00350-716.5
PE 34:3PE 34:3ME812326-C00350-714.5
PE 34:4PE 34:4ME812327-C00350-712.5
PE 36:1PE 36:1ME812334-C00350-746.5
PE 36:2PE 36:2ME812335-C00350-744.5
PE 36:3PE 36:3ME812336-C00350-742.5
PE 36:4PE 36:4ME812337-C00350-740.5
PE 36:5PE 36:5ME812338-C00350-738.5
PE 36:6PE 36:6ME812339-C00350-736.5
PE 37:4 (IS)PE 37:4ME812316-C00350-754.4
PE 38:0PE 38:0ME812342-C00350-776.5
PE 38:1PE 38:1ME812343-C00350-774.5
PE 38:2PE 38:2ME812344-C00350-772.5
PE 38:3PE 38:3ME812345-C00350-770.5
PE 38:4PE 38:4ME812346-C00350-768.5
PE 38:5PE 38:5ME812347-C00350-766.5
PE 38:6PE 38:6ME812348-C00350-764.5
PE 38:7PE 38:7ME812349-C00350-762.5
PE 40:3PE 40:3ME812354-C00350-798.5
PE 40:4PE 40:4ME812355-C00350-796.5
PE 40:5PE 40:5ME812356-C00350-794.5
PE 40:6PE 40:6ME812357-C00350-792.5
PE 40:7PE 40:7ME812358-C00350-790.5
PE 40:8PE 40:8ME812359-C00350-788.5
PE 40:9PE 40:9ME812360-C00350-786.5
PE O-34:1/P-34:0-ME812321-C04475/C04756-704.4
PE O-34:2/P-34:1-ME812322-C04475/C04756-702.4
PE O-34:3/P-34:2-ME812323-C04475/C04756-700.4
PE O-36:1/P-36:0-ME812328-C04475/C04756-732.5
PE O-36:2/P-36:1-ME812329-C04475/C04756-730.5
PE O-36:3/P-36:2-ME812330-C04475/C04756-728.5
PE O-36:4/P-36:3-ME812331-C04475/C04756-726.5
PE O-36:5/P-36:4-ME812332-C04475/C04756-724.5
PE O-36:6/P-36:5-ME812333-C04475/C04756-722.5
PE O-38:5/P-38:4-ME812340-C04475/C04756-752.5
PE O-38:6/P-38:5-ME812341-C04475/C04756-750.5
PE O-40:3/P-40:2-ME812350-C04475/C04756-784.5
PE O-40:4/P-40:3-ME812351-C04475/C04756-782.5
PE O-40:5/P-40:4-ME812352-C04475/C04756-780.5
PE O-40:6/P-40:5-ME812353-C04475/C04756-778.5
PG 32:0PG 32:0ME812415-C00344-740.4
PG 32:1PG 32:1ME812416-C00344-738.4
PG 32:2PG 32:2ME812417-C00344-736.4
PG 32:3PG 32:3ME812418-C00344-734.4
PG 34:0PG 34:0ME812419-C00344-768.4
PG 34:1PG 34:1ME812420-C00344-766.4
PG 34:2PG 34:2ME812421-C00344-764.4
PG 34:3PG 34:3ME812422-C00344-762.4
PG 36:0PG 36:0ME812423-C00344-796.5
PG 36:1PG 36:1ME812424-C00344-794.5
PG 36:2PG 36:2ME812425-C00344-792.4
PG 36:3PG 36:3ME812426-C00344-790.4
PG 36:4PG 36:4ME812427-C00344-788.4
PG 37:4 (IS)PG 37:4ME812414-C00344-802.5
PG 38:2PG 38:2ME812428-C00344-820.5
PG 38:3PG 38:3ME812429-C00344-818.5
PG 38:4PG 38:4ME812430-C00344-816.5
PG 38:5PG 38:5ME812431-C00344-814.5
PG 40:3PG 40:3ME812432-C00344-846.5
PG 40:9PG 40:9ME812433-C00344-834.5
PI 32:0PI 32:0ME812362-C01194-828.5
PI 32:1PI 32:1ME812363-C01194-826.5
PI 32:2PI 32:2ME812364-C01194-824.5
PI 32:3PI 32:3ME812365-C01194-822.5
PI 34:1PI 34:1ME812366-C01194-854.5
PI 34:2PI 34:2ME812367-C01194-852.5
PI 34:3PI 34:3ME812368-C01194-850.5
PI 34:4PI 34:4ME812369-C01194-848.5
PI 36:1PI 36:1ME812370-C01194-882.5
PI 36:2PI 36:2ME812371-C01194-880.5
PI 36:3PI 36:3ME812372-C01194-878.5
PI 36:4PI 36:4ME812373-C01194-876.5
PI 36:5PI 36:5ME812374-C01194-874.5
PI 37:4 (IS)PI 37:4ME812361-C01194-890.5
PI 38:1PI 38:1ME812375-C01194-910.5
PI 38:2PI 38:2ME812376-C01194-908.5
PI 38:3PI 38:3ME812377-C01194-906.5
PI 38:4PI 38:4ME812378-C01194-904.5
PI 38:5PI 38:5ME812379-C01194-902.5
PI 38:6PI 38:6ME812380-C01194-900.5
PI 40:3PI 40:3ME812381-C01194-934.5
PI 40:4PI 40:4ME812382-C01194-932.5
PI 40:5PI 40:5ME812383-C01194-930.5
PI 40:6PI 40:6ME812384-C01194-928.5
PS 32:0PS 32:0ME812386-C02737-736.5
PS 32:2PS 32:2ME812387-C02737-732.5
PS 32:3PS 32:3ME812388-C02737-730.5
PS 34:1PS 34:1ME812389-C02737-762.5
PS 34:2PS 34:2ME812390-C02737-760.5
PS 34:3PS 34:3ME812391-C02737-758.5
PS 34:4PS 34:4ME812392-C02737-756.5
PS 36:1PS 36:1ME812393-C02737-790.5
PS 36:2PS 36:2ME812394-C02737-788.5
PS 36:3PS 36:3ME812395-C02737-786.5
PS 36:4PS 36:4ME812396-C02737-784.5
PS 36:5PS 36:5ME812397-C02737-782.5
PS 36:6PS 36:6ME812398-C02737-780.5
PS 37:4 (IS)PS 37:4ME812385-C02737-798.5
PS 38:1PS 38:1ME812399-C02737-818.5
PS 38:2PS 38:2ME812400-C02737-816.5
PS 38:3PS 38:3ME812401-C02737-814.5
PS 38:4PS 38:4ME812402-C02737-812.5
PS 38:5PS 38:5ME812403-C02737-810.5
PS 38:7PS 38:7ME812404-C02737-806.5
PS 40:1PS 40:1ME812405-C02737-846.5
PS 40:2PS 40:2ME812406-C02737-844.5
PS 40:3PS 40:3ME812407-C02737-842.5
PS 40:4PS 40:4ME812408-C02737-840.5
PS 40:5PS 40:5ME812409-C02737-838.5
PS 40:6PS 40:6ME812410-C02737-836.5
PS 40:7PS 40:7ME812411-C02737-834.5
PS 40:8PS 40:8ME812412-C02737-832.5
PS 40:9PS 40:9ME812413-C02737-830.5


Analysis: Normal phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Cer 18:1;O2/12:0 (IS)Cer 18:1;O2/12:0ME8124545283562-0.32-
Cer 18:1;O2/14:0Cer 18:1;O2/14:0ME8124555282310-0.32-
Cer 18:1;O2/16:0Cer 18:1;O2/16:0ME8124565283564-0.32-
Cer 18:1;O2/16:1Cer 18:1;O2/16:1ME812457--0.32-
Cer 18:1;O2/18:0Cer 18:1;O2/18:0ME8124585283565-0.32-
Cer 18:1;O2/18:1Cer 18:1;O2/18:1ME8124595283563-0.32-
Cer 18:1;O2/20:0Cer 18:1;O2/20:0ME8124605283566-0.32-
Cer 18:1;O2/22:0Cer 18:1;O2/22:0ME8124615283567-0.32-
Cer 18:1;O2/22:1Cer 18:1;O2/22:1ME812462--0.32-
Cer 18:1;O2/24:0Cer 18:1;O2/24:0ME8124635283571-0.32-
Cer 18:1;O2/24:1Cer 18:1;O2/24:1ME8124645283568-0.32-
Cer 18:1;O2/26:0Cer 18:1;O2/26:0ME8124655283570-0.32-
Cer 18:1;O2/26:1Cer 18:1;O2/26:1ME8124665283569-0.32-
SM 18:1;O2/12:0 (IS)SM 18:1;O2/12:0ME81246744260123-4.17-
SM 18:1;O2/14:0SM 18:1;O2/14:0ME81246811433862-4.16-
SM 18:1;O2/16:0SM 18:1;O2/16:0ME8124699939941-4.15-
SM 18:1;O2/16:1SM 18:1;O2/16:1ME81247052931145-4.15-
SM 18:1;O2/18:0SM 18:1;O2/18:0ME8124716453725-4.13-
SM 18:1;O2/18:1SM 18:1;O2/18:1ME8124726443882-4.13-
SM 18:1;O2/20:0SM 18:1;O2/20:0ME81247344260124-4.13-
SM 18:1;O2/22:0SM 18:1;O2/22:0ME81247444260125-4.12-
SM 18:1;O2/22:1SM 18:1;O2/22:1ME81247552931203-4.12-
SM 18:1;O2/24:0SM 18:1;O2/24:0ME81247644260127-4.11-
SM 18:1;O2/24:1SM 18:1;O2/24:1ME81247744260126-4.11-
SM 18:1;O2/26:0SM 18:1;O2/26:0ME81247844260129-4.09-
SM 18:1;O2/26:1SM 18:1;O2/26:1ME81247944260128-4.09-


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
CL 61:1 (IS)CL 61:1*ME812480-C059807.84-
CL 68:4CL 68:4ME812481-C059808.12-
CL 70:4CL 70:4ME812482-C059808.78-
CL 72:4CL 72:4ME812483-C059809.46-


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
Arachidonic acid (20:4)Arachidonic acidME812496-C002192.20-
DHA (22:6)-ME812499-C064292.18-
Docosadienoic acid (22:2)-ME812498-C165332.99-
Docosenoic acid (22:1)-ME812497-C083163.19-
Eicosadienoic acid (20:2)-ME812494-C16525/C219362.59-
Eicosatrienoic acid (20:3)-ME812495-C03242/C16522/C219382.38-
Eicosenoic acid (20:1)-ME812493-C16526/C219462.81-
Hexadecenoic acid (16:1)-ME812488-C21942/C083622.01-
Myristic acid (14:0)-ME812485-C064241.84-
Octadecadienoic acid (18:2)-ME812491-C04056/C015952.20-
Octadecatrienoic acid (18:3)-ME812492-C06426/C08315/C08364/C064272.00-
Octadecenoic acid (18:1)-ME812490-C08363/C00712/C01712/C21944/C083672.42-
Palmitic acid (16:0)-ME812487-C002492.25-
Palmitic acid-d31 (IS)-ME812484-N/A2.19-
Stearic acid (18:0)-ME812489-C015302.67-
Tetradecenoic acid (14:1)-ME812486-C083221.62-


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