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Analysis: None (Direct infusion) NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Arachidic acidArachidic acidME55947010467C06425-312
Arachidonic acidArachidonic acidME559465444899C00219-304
Dihomo-g-linolenic acidDihomo-gamma-linolenic acidME55946653486C03242-306
Docosadienoic acidDocosadienoic acidME55947651090862C16533-336
Docosahexaenoic acidDocosahexaenoic acidME559471445580C06429-328
Docosanoic acid (Behenic acid)Behenic acidME55947810479C08281-340
Docosapentaenoic acid (n-3)DPAME5594725497182C16513-330
Docosapentaenoic acid (n-6)Docosapentaenoic acid (22n-6)ME5594735282848--330
Docosatetraenoic acidDocosatetraenoic acidME5594745497181C16527-332
Docosatrienoic acidDocosatrienoic acidME5594755312557C16534-334
Docosenoic acidDocosenoic acidME55947710514C08316-338
Dodecanoic acidLauric acidME5594523893C02679-200
Eicosadienoic acidEicosadienoic acidME5594685282805C16525-308
Eicosapentaenoic acidEicosapentaenoic acidME559464446284C06428-302
Eicosenoic acidEicosenoic acidME5594695282768C16526-310
Heptadecanoic acidMargaric acidME55945810465--270
Heptadecenoic acidHeptadecenoic acidME5594575312440C16536-268
Hexacosanoic acidCerotic acidME55948210469C21931-396
Hexacosenoic acidHexacosenoic acidME5594815282775C17278-394
Lignoceric acidLignoceric acidME55948010518C08320-368
Linoleic acidLinoleic acidME5594615280450C01595-280
Linolenic acid (alpha)alpha-Linolenic acidME5594608662C06427-278
Mead acidETrE(5Z,8Z,11Z)ME5594675312531C21938-306
Myristic acidMyristic acidME55945311005C06242-228
Nervonic acidNervonic acidME55947910521C08323-366
Octadecatetraenoic acid (Stearidonic acid)Stearidonic acidME5594595312508C16300-276
Oleic acidOleic acidME5594623978C00712-282
Palmitic acidPalmitic acidME559456985C00249-256
Palmitoleic acidPalmitoleic acidME559455445638C08362-254
Pentadecanoic acidPentadecylic acidME55945413849C16537-242
Stearic acidStearic acidME5594634692C01530-284


Analysis: None (Direct infusion) NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10(11)-EpDPE10(11)-EpDPEME55957811638767--344
10-HDoHE10-HDoHEME55956011537494--344
10S,17S-DiHDoHE10S,17S-DiHDoHEME55961811667655--360
11,12-DiHETrE11,12-DiHETrEME5595865283146C14774-338
11(12)-EpETE11(12)-EpETEME55957416061087--318
11(12)-EpETrE11,12-EpETrEME5595715283204C14770-320
11dh-2,3-dinor TXB211-Dehydro-2,3-dinor-TXB2ME55951835024530--340
11dh-TXB211-Dehydro-TXB2ME5595165280891C05964-368
11dh TXB311-Dehydro-TXB3ME55952016061115--366
11-HDoHE11-HDoHEME55956111631564--344
11-HEPE11-HEPEME55955316061130--318
11-HETE11-HETEME5595445312982--320
11(R)-HEDE11R-HEDEME55953716061090--324
12,13-DiHOME12,13-DiHOMEME5595835282961--314
12(13)-EpOME12(13)-EpOMEME5595685356421C14826-296
12-HEPE12-HEPEME55955410041593--318
12-HETE12-HETEME5595455283155C14777-320
12-OxoETE12-Oxo-ETEME5595955283162C14807-318
12-OxoLTB412-Oxo-LTB4ME5595225283130--334
12(S)-HHTrE12S-HHTrEME5595495283141--280
13,14dh-15k-PGD213,14-Dihydro-15-keto-PGD2ME5595035283036--352
13,14dh-15k-PGE113,14-Dihydro-15-keto-PGE1ME55948416061097--372
13,14dh-15k-PGE213,14-Dihydro-15-keto-PGE2ME5594945280711C04671-352
13,14dh-15k-PGF2a13,14-Dihydro-15-keto-PGF2alphaME5595095283039--354
13,14dhPGE113,14-Dihydro-PGE1ME559483161273--356
13(14)-EpDPE13(14)-EpDPEME55957911674605--344
13-HDoHE13-HDoHEME55956211559259--344
13-HODE13-HODEME5595336443013C14762-296
13-OxoODE13-Oxo-ODEME5595916446027C14765-294
13(S)-HOTrE13S-HOTrEME55953516061072C16316-294
13(S)-HOTrE(g)-ME5595365282971--294
14,15-DiHETrE14,15-DiHETrEME5595875283147C14775-338
14(15)-EpETE14(15)-EpETEME55957516061088--318
14(15)-EpETrE14,15-EpETrEME5595725283205C14771-320
14-HDoHE14-HDoHEME55956311566378--344
15d-D12,14-PGJ215-Deoxy-delta-12,14-PGJ2ME5595025311211C14717-316
15d-D12,14-PGJ3-ME559505----
15-epi LXA415-epi-Lipoxin A4ME5595989841438--352
15-HETE15-HETEME5595469966861--320
15-keto PGE115-Keto-PGE1ME5594885280710C04654-352
15-keto PGE215-Keto-PGE2ME5594935280719C04707-350
15-keto PGF2a15-Keto-PGF2alphaME5595085280887C05960-352
15-OxoEDE15-oxoEDEME5595935283013--322
15-OxoETE15-Oxo-ETEME5595965280701C04577-318
15-oxo LXA4-ME5595995221886--350
15(R)-PGE115R-PGE1ME5594875283056--354
15(S)-HEDE-ME5595385282705--324
15(S)-HEPE15S-HEPEME55955516061131--318
16(17)-EpDPE16(17)-EpDPEME55958014392758--344
16-HDoHE16-HDoHEME55956411595378--344
17(18)-EpETE17(18)-EpETEME55957616061089C13843-318
17-HDoHE17-HDoHEME5595656439179--344
17-oxoRvD1-ME55961044576257--374
18-carboxy dinor LTB418-Carboxy-dinor-LTB4ME5595256438938--338
18-HEPE18-HEPEME55955616061132--318
19,20-DiHDoPE19,20-DiHDPEME55958916061148--362
19(20)-EpDPE19(20)-EpDPEME55958111631565--344
19(R)-hydroxy PGE119R-Hydroxy-PGE1ME5594905283115--370
20-COOH LTB420-Carboxy-LTB4ME5595245280877C05950-366
20-HDoHE20-HDoHEME55956616061143--344
20-HETE20-HETEME5595475283157C14748-320
20-hydroxy LTB420-Hydroxy LTB4ME5595235280745C04853-352
22-OH-PD1-ME559619----
2,3-dinor PGE12,3-Dinor-PGE1ME55949116061101--326
2,3-dinor TXB22,3-Dinor-TXB2ME5595175283138--342
4-HDoHE4-HDoHEME55955714429109--344
5,6-DiHETE(EPA)-ME55958814429105--336
5,6-DiHETrE5,6-DiHETrEME5595845283142C14772-338
5(6)-EpETrE5,6-EpETrEME5595695283202C14768-320
5-HEPE5-HEPEME5595506439678--318
5-HETE5-HETEME5595415280733C04805-320
5-oxoETE5-Oxo-ETEME5595945283159C14732-318
5(S),12(S)-DiHETE5S,12S-DiHETEME5595289997164--336
5(S),15(S)-DiHEPE-ME5595315283180--368
5(S),15(S)-DiHETE5S,15S-DiHETEME5595295283158--336
5(S),6(S)-DiHETE5S,6S-DiHETEME5595275283161--336
5(S)-HETrE5S-HETrEME5595405283143--322
6,15-diketo PGFa13,14-Dihydro-6,15-diketo-PGF1alphaME559514174013--370
6-keto PGE16-Keto PGE1ME5595135280889C05962-368
6kPGF1a6-Keto-PGF1alphaME5595125280888C05961-370
7(8)-EpDPE7(8)-EpDPEME55957711653103--344
7-HDoHE7-HDoHEME55955816061142--344
7(S)-Maresin1-ME55962142607314--360
8,9-DiHETrE8,9-DiHETrEME5595855283144C14773-338
8(9)-EpETE8(9)-EpETEME55957316061085--318
8(9)-EpETrE8(9)-EpETrEME5595705283203C14769-320
8-HDoHE8-HDoHEME55955911976798--344
8-HEPE8-HEPEME55955116061128--318
8-HETE8-HETEME5595425283154C14776-320
8-oxoRvD1-ME55960953477507--374
8(S),15(S)-DiHETE8S,15S-DiHETEME5595305283183--336
8(S)-HETrE8S-HETrEME5595395283148--322
9,10-DiHOME9,10-DiHOMEME5595825282958--314
9(10)-EpOME9(10)-EpOMEME5595676246154C14825-296
9-HEPE9-HEPEME55955216061129--318
9-HETE9-HETEME55954314123398--320
9-HODE9-HODEME5595325283944--296
9-OxoODE9-OxoODEME5595905283011--294
9-OxoOTrE9-oxo-OTrEME55959211380794--292
9(S)-HOTrE9S-HOTrEME5595346439873C16326-294
AT-PD1-ME55961624778497--360
AT-RvD3-ME55960544251573--376
Bicyclo PGE1-ME5594895283055--338
Bicyclo PGE2Bicyclo-PGE2ME559495137699601--334
D12-PGJ2PGJ2ME5595015280885C05958-334
D17-PGE1PGE1ME5594855283114--352
iPF-VI-ME55951142607309--354
LTB4LTB4ME5595215280492C02165-336
LTB5LTB5ME5595265283125--334
LXA4Lipoxin A4ME5595975280914C06314-352
LXA5Lipoxin A5ME5596006439927--350
LXB4Lipoxin B4ME5596015280915C06315-352
MaR1(n-3DPA)-ME559622132472313--362
Maresin1Maresin-1ME55962060201795--360
PD1Neuroprotectin D1ME55961516042541--360
PD1(n-3, DPA)-ME55961786288884--362
PGA2PGA2ME5594965280880C05953-334
PGD2PGD2ME559499448457C00696-352
PGD3PGD3ME5595045282260C13802-350
PGE1PGE1ME5594867312C04741-354
PGE2PGE2ME5594925280360C00584-352
PGE3PGE3ME5594985280937C06439-350
PGF1aPGF1alphaME5595065280939C06475-356
PGF2aPGF2alphaME5595075280363C00639-354
PGF3aPGF3alphaME5595105280940C06476-352
PGJ2PGJ2ME5595005280884C05957-334
RvD1Resolvin D1ME55960216126783--376
RvD2Resolvin D2ME55960353477504--376
RvD3Resolvin D3ME55960453477497--376
RvD4-ME55960653477505--376
RvD5Resolvin D5ME55960725073195--360
RvD5(n-3DPA) (7,17-DiHDoPE)-ME559611----
RvD6 (4,17-DiHDoHE)-ME55960825073193--360
RvE1Resolvin E1ME55961210473088C18171-350
RvE2-ME55961316061125C18173-334
RvE3-ME55961456848721--334
tetranor 12-HETE-ME5595485282970--266
tetranor PGEMTetranor-PGEMME559497161468--328
TXB2TXB2ME5595155283137C05963-370
TXB3TXB3ME5595195283140--368


Analysis: None (Direct infusion) NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Arachidic acidArachidic acidME55964110467C06425-312
Arachidonic acidArachidonic acidME559636444899C00219-304
Dihomo-g-linolenic acidDihomo-gamma-linolenic acidME55963753486C03242-306
Docosadienoic acidDocosadienoic acidME55964751090862C16533-336
Docosahexaenoic acidDocosahexaenoic acidME559642445580C06429-328
Docosanoic acid (Behenic acid)Behenic acidME55964910479C08281-340
Docosapentaenoic acid (n-3)DPAME5596435497182C16513-330
Docosapentaenoic acid (n-6)Docosapentaenoic acid (22n-6)ME5596445282848--330
Docosatetraenoic acidDocosatetraenoic acidME5596455497181C16527-332
Docosatrienoic acidDocosatrienoic acidME5596465312557C16534-334
Docosenoic acidDocosenoic acidME55964810514C08316-338
Dodecanoic acidLauric acidME5596233893C02679-200
Eicosadienoic acidEicosadienoic acidME5596395282805C16525-308
Eicosapentaenoic acidEicosapentaenoic acidME559635446284C06428-302
Eicosenoic acidEicosenoic acidME5596405282768C16526-310
Heptadecanoic acidMargaric acidME55962910465--270
Heptadecenoic acidHeptadecenoic acidME5596285312440C16536-268
Hexacosanoic acidCerotic acidME55965310469C21931-396
Hexacosenoic acidHexacosenoic acidME5596525282775C17278-394
Lignoceric acidLignoceric acidME55965110518C08320-368
Linoleic acidLinoleic acidME5596325280450C01595-280
Linolenic acid (alpha)alpha-Linolenic acidME5596318662C06427-278
Mead acidETrE(5Z,8Z,11Z)ME5596385312531C21938-306
Myristic acidMyristic acidME55962411005C06242-228
Nervonic acidNervonic acidME55965010521C08323-366
Octadecatetraenoic acid (Stearidonic acid)Stearidonic acidME5596305312508C16300-276
Oleic acidOleic acidME5596333978C00712-282
Palmitic acidPalmitic acidME559627985C00249-256
Palmitoleic acidPalmitoleic acidME559626445638C08362-254
Pentadecanoic acidPentadecylic acidME55962513849C16537-242
Stearic acidStearic acidME5596344692C01530-284


Analysis: None (Direct infusion) NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10(11)-EpDPE10(11)-EpDPEME55974911638767--344
10-HDoHE10-HDoHEME55973111537494--344
10S,17S-DiHDoHE10S,17S-DiHDoHEME55978911667655--360
11,12-DiHETrE11,12-DiHETrEME5597575283146C14774-338
11(12)-EpETE11(12)-EpETEME55974516061087--318
11(12)-EpETrE11,12-EpETrEME5597425283204C14770-320
11dh-2,3-dinor TXB211-Dehydro-2,3-dinor-TXB2ME55968935024530--340
11dh-TXB211-Dehydro-TXB2ME5596875280891C05964-368
11dh TXB311-Dehydro-TXB3ME55969116061115--366
11-HDoHE11-HDoHEME55973211631564--344
11-HEPE11-HEPEME55972416061130--318
11-HETE11-HETEME5597155312982--320
11(R)-HEDE11R-HEDEME55970816061090--324
12,13-DiHOME12,13-DiHOMEME5597545282961--314
12(13)-EpOME12(13)-EpOMEME5597395356421C14826-296
12-HEPE12-HEPEME55972510041593--318
12-HETE12-HETEME5597165283155C14777-320
12-OxoETE12-Oxo-ETEME5597665283162C14807-318
12-OxoLTB412-Oxo-LTB4ME5596935283130--334
12(S)-HHTrE12S-HHTrEME5597205283141--280
13,14dh-15k-PGD213,14-Dihydro-15-keto-PGD2ME5596745283036--352
13,14dh-15k-PGE113,14-Dihydro-15-keto-PGE1ME55965516061097--372
13,14dh-15k-PGE213,14-Dihydro-15-keto-PGE2ME5596655280711C04671-352
13,14dh-15k-PGF2a13,14-Dihydro-15-keto-PGF2alphaME5596805283039--354
13,14dhPGE113,14-Dihydro-PGE1ME559654161273--356
13(14)-EpDPE13(14)-EpDPEME55975011674605--344
13-HDoHE13-HDoHEME55973311559259--344
13-HODE13-HODEME5597046443013C14762-296
13-OxoODE13-Oxo-ODEME5597626446027C14765-294
13(S)-HOTrE13S-HOTrEME55970616061072C16316-294
13(S)-HOTrE(g)-ME5597075282971--294
14,15-DiHETrE14,15-DiHETrEME5597585283147C14775-338
14(15)-EpETE14(15)-EpETEME55974616061088--318
14(15)-EpETrE14,15-EpETrEME5597435283205C14771-320
14-HDoHE14-HDoHEME55973411566378--344
15d-D12,14-PGJ215-Deoxy-delta-12,14-PGJ2ME5596735311211C14717-316
15d-D12,14-PGJ3-ME559676----
15-epi LXA415-epi-Lipoxin A4ME5597699841438--352
15-HETE15-HETEME5597179966861--320
15-keto PGE115-Keto-PGE1ME5596595280710C04654-352
15-keto PGE215-Keto-PGE2ME5596645280719C04707-350
15-keto PGF2a15-Keto-PGF2alphaME5596795280887C05960-352
15-OxoEDE15-oxoEDEME5597645283013--322
15-OxoETE15-Oxo-ETEME5597675280701C04577-318
15-oxo LXA4-ME5597705221886--350
15(R)-PGE115R-PGE1ME5596585283056--354
15(S)-HEDE-ME5597095282705--324
15(S)-HEPE15S-HEPEME55972616061131--318
16(17)-EpDPE16(17)-EpDPEME55975114392758--344
16-HDoHE16-HDoHEME55973511595378--344
17(18)-EpETE17(18)-EpETEME55974716061089C13843-318
17-HDoHE17-HDoHEME5597366439179--344
17-oxoRvD1-ME55978144576257--374
18-carboxy dinor LTB418-Carboxy-dinor-LTB4ME5596966438938--338
18-HEPE18-HEPEME55972716061132--318
19,20-DiHDoPE19,20-DiHDPEME55976016061148--362
19(20)-EpDPE19(20)-EpDPEME55975211631565--344
19(R)-hydroxy PGE119R-Hydroxy-PGE1ME5596615283115--370
20-COOH LTB420-Carboxy-LTB4ME5596955280877C05950-366
20-HDoHE20-HDoHEME55973716061143--344
20-HETE20-HETEME5597185283157C14748-320
20-hydroxy LTB420-Hydroxy LTB4ME5596945280745C04853-352
22-OH-PD1-ME559790----
2,3-dinor PGE12,3-Dinor-PGE1ME55966216061101--326
2,3-dinor TXB22,3-Dinor-TXB2ME5596885283138--342
4-HDoHE4-HDoHEME55972814429109--344
5,6-DiHETE(EPA)-ME55975914429105--336
5,6-DiHETrE5,6-DiHETrEME5597555283142C14772-338
5(6)-EpETrE5,6-EpETrEME5597405283202C14768-320
5-HEPE5-HEPEME5597216439678--318
5-HETE5-HETEME5597125280733C04805-320
5-oxoETE5-Oxo-ETEME5597655283159C14732-318
5(S),12(S)-DiHETE5S,12S-DiHETEME5596999997164--336
5(S),15(S)-DiHEPE-ME5597025283180--368
5(S),15(S)-DiHETE5S,15S-DiHETEME5597005283158--336
5(S),6(S)-DiHETE5S,6S-DiHETEME5596985283161--336
5(S)-HETrE5S-HETrEME5597115283143--322
6,15-diketo PGFa13,14-Dihydro-6,15-diketo-PGF1alphaME559685174013--370
6-keto PGE16-Keto PGE1ME5596845280889C05962-368
6kPGF1a6-Keto-PGF1alphaME5596835280888C05961-370
7(8)-EpDPE7(8)-EpDPEME55974811653103--344
7-HDoHE7-HDoHEME55972916061142--344
7(S)-Maresin1-ME55979242607314--360
8,9-DiHETrE8,9-DiHETrEME5597565283144C14773-338
8(9)-EpETE8(9)-EpETEME55974416061085--318
8(9)-EpETrE8(9)-EpETrEME5597415283203C14769-320
8-HDoHE8-HDoHEME55973011976798--344
8-HEPE8-HEPEME55972216061128--318
8-HETE8-HETEME5597135283154C14776-320
8-oxoRvD1-ME55978053477507--374
8(S),15(S)-DiHETE8S,15S-DiHETEME5597015283183--336
8(S)-HETrE8S-HETrEME5597105283148--322
9,10-DiHOME9,10-DiHOMEME5597535282958--314
9(10)-EpOME9(10)-EpOMEME5597386246154C14825-296
9-HEPE9-HEPEME55972316061129--318
9-HETE9-HETEME55971414123398--320
9-HODE9-HODEME5597035283944--296
9-OxoODE9-OxoODEME5597615283011--294
9-OxoOTrE9-oxo-OTrEME55976311380794--292
9(S)-HOTrE9S-HOTrEME5597056439873C16326-294
AT-PD1-ME55978724778497--360
AT-RvD3-ME55977644251573--376
Bicyclo PGE1-ME5596605283055--338
Bicyclo PGE2Bicyclo-PGE2ME559666137699601--334
D12-PGJ2PGJ2ME5596725280885C05958-334
D17-PGE1PGE1ME5596565283114--352
iPF-VI-ME55968242607309--354
LTB4LTB4ME5596925280492C02165-336
LTB5LTB5ME5596975283125--334
LXA4Lipoxin A4ME5597685280914C06314-352
LXA5Lipoxin A5ME5597716439927--350
LXB4Lipoxin B4ME5597725280915C06315-352
MaR1(n-3DPA)-ME559793132472313--362
Maresin1Maresin-1ME55979160201795--360
PD1Neuroprotectin D1ME55978616042541--360
PD1(n-3, DPA)-ME55978886288884--362
PGA2PGA2ME5596675280880C05953-334
PGD2PGD2ME559670448457C00696-352
PGD3PGD3ME5596755282260C13802-350
PGE1PGE1ME5596577312C04741-354
PGE2PGE2ME5596635280360C00584-352
PGE3PGE3ME5596695280937C06439-350
PGF1aPGF1alphaME5596775280939C06475-356
PGF2aPGF2alphaME5596785280363C00639-354
PGF3aPGF3alphaME5596815280940C06476-352
PGJ2PGJ2ME5596715280884C05957-334
RvD1Resolvin D1ME55977316126783--376
RvD2Resolvin D2ME55977453477504--376
RvD3Resolvin D3ME55977553477497--376
RvD4-ME55977753477505--376
RvD5Resolvin D5ME55977825073195--360
RvD5(n-3DPA) (7,17-DiHDoPE)-ME559782----
RvD6 (4,17-DiHDoHE)-ME55977925073193--360
RvE1Resolvin E1ME55978310473088C18171-350
RvE2-ME55978416061125C18173-334
RvE3-ME55978556848721--334
tetranor 12-HETE-ME5597195282970--266
tetranor PGEMTetranor-PGEMME559668161468--328
TXB2TXB2ME5596865283137C05963-370
TXB3TXB3ME5596905283140--368


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