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Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AlanineAlanineME544485602---
ArginineArginineME544486232---
AsparagineAsparagineME544487236---
AspartateAspartic acidME544488424---
Asymmetric dimethylarginineDimethylarginineME544505123831---
CitrullineCitrullineME544489833---
CreatinineCreatinineME544506588---
DihydroxyphenylalanineDOPAME544507836---
GlutamateGlutamic acidME544491611---
GlutamineGlutamineME544490738---
GlycineGlycineME544492750---
HistidineHistidineME544493773---
KynurenineKynurenineME544508846---
Leucine+IsoleucineLeucineME544504857---
LysineLysineME544494866---
MethionineMethionineME544495876---
Methionine sulfoxideMethionine sulfoxideME544509148508---
OrnithineOrnithineME544496389---
PhenylalaninePhenylalanineME544497994---
ProlineProlineME544498614---
PutrescinePutrescineME5445101045---
SarcosineSarcosineME5445111088---
SerineSerineME544499617---
SerotoninSerotoninME5445135202---
SpermidineSpermidineME5445141102---
SpermineSpermineME5445151103---
Symmetric dimethylarginineSymmetric dimethylarginineME544512169148---
TaurineTaurineME5445171123---
ThreonineThreonineME544500205---
trans-4-Hydroxyprolinetrans-4-HydroxyprolineME544516440014---
TryptophanTryptophanME5445011148---
TyrosineTyrosineME5445021153---
ValineValineME5445031182---


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
IsoleucineIsoleucineME544518791---


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
AC(0:0)CarnitineME544519288---
AC(2:0)CAR 2:0ME5445201---
AC(3:0)CAR 3:0ME544521107738---
AC(3:1)CAR 3:1ME54452253481699---
AC(4:0)CAR 4:0ME544523213144---
AC(4:0-OH)CAR 4:0;OHME54452471464477---
AC(5:0)CAR 5:0ME5445256426903---
AC(5:1)CAR 5:1ME54452691825636---
CE(16:0)CE 16:0ME544527246520---
CE(16:1)CE 16:1ME54452813828666---
CE(17:0)CE 17:0ME54452924779605---
CE(17:1)CE 17:1ME544530----
CE(17:2)CE 17:2ME544531----
CE(18:1)CE 18:1ME54453250938266---
CE(18:2)CE 18:2ME544533131801653---
CE(18:3)CE 18:3ME5445346436907---
CE(19:2)CE 19:2ME544535----
CE(19:3)CE 19:3ME544536----
CE(20:4)CE 20:4ME5445376479222---
CE(20:5)CE 20:5ME54453853477889---
CE(22:5)CE 22:5ME54453953480462---
CE(22:6)CE 22:6ME54454053477890---
Cer(34:0)Cer 34:0;O2ME5447575283572---
Cer(34:1)Cer 34:1;O2ME5447585283564---
Cer(38:1)Cer 38:1;O2ME5447595283566---
Cer(40:1)Cer 40:1;O2ME5447605283567---
Cer(41:1)Cer 41:1;O2ME54476152931115---
Cer(42:1)Cer 42:1;O2ME5447625283571---
Cer(42:2)Cer 42:2;O2ME5447635283568---
Cer(43:1)Cer 43:1;O2ME5447649547202---
DG(32:1)DG 32:1ME544541----
DG(32:2)DG 32:2ME544542----
DG(34:1)DG 34:1ME54454353478060---
DG(34:3)DG 34:3ME544544----
DG(36:2)DG 36:2ME5445456441562---
DG(36:3)DG 36:3ME5445469543728---
DG(36:4)DG 36:4ME5445479543736---
DG(38:0)DG 38:0ME5445489543762---
DG(38:5)DG 38:5ME5445499543784---
DG(39:0)DG 39:0ME5445509543773---
DG(41:1)DG 41:1ME544551----
DG(42:0)DG 42:0ME5445529543865---
DG(42:1)DG 42:1ME54455353478056---
DG(42:2)DG 42:2ME54455453478085---
DG(44:3)DG 44:3ME54455553478237---
DG-O(32:2)DG O-32:2ME544556----
DG-O(34:1)DG O-34:1ME544557----
DG-O(36:4)DG O-36:4ME544558----
LPC(14:0)LPC 14:0ME544601460604---
LPC(15:0)LPC 15:0ME54460224779458---
LPC(16:0)LPC 16:0ME544603460602---
LPC(16:1)LPC 16:1ME54460424779461---
LPC(17:0)LPC 17:0ME54460524779463---
LPC(17:1)LPC 17:1ME544606----
LPC(18:0)LPC 18:0ME544607497299---
LPC(18:1)LPC 18:1ME5446089546675---
LPC(18:2)LPC 18:2ME54460911005824---
LPC(20:1)LPC 20:1ME54461052924051---
LPC(20:2)LPC 20:2ME54461152924053---
LPC(20:3)LPC 20:3ME54461252924055---
LPC(20:4)LPC 20:4ME54461324779476---
LPC(22:5)LPC 22:5ME54461453480473---
LPC(22:6)LPC 22:6ME54461510415542---
LPC(24:0)LPC 24:0ME54461624779481---
LPC-O(16:1)LPC O-16:1ME54461710917802---
LPC-O(17:1)LPC O-17:1ME544618----
LPC-O(18:0)LPC O-18:0ME5446192733532---
LPC-O(18:1)LPC O-18:1ME54462024779527---
LPC-O(18:2)LPC O-18:2ME54462124779513---
PC(24:0)PC 24:0ME544622----
PC(25:0)PC 25:0ME544623----
PC(27:1)PC 27:1ME544624----
PC(28:1)PC 28:1ME54462552922210---
PC(29:0)PC 29:0ME54462624778611---
PC(29:2)PC 29:2ME544627----
PC(30:0)PC 30:0ME544628129657---
PC(30:1)PC 30:1ME54462924778615---
PC(31:0)PC 31:0ME54463024778655---
PC(31:1)PC 31:1ME54463124778657---
PC(31:2)PC 31:2ME544632----
PC(31:3)PC 31:3ME544633----
PC(32:0)PC 32:0ME544634131150---
PC(32:1)PC 32:1ME5446356443788---
PC(32:2)PC 32:2ME54463624778624---
PC(32:3)PC 32:3ME54463724778625---
PC(32:4)PC 32:4ME54463824778627---
PC(32:5)PC 32:5ME54463952922270---
PC(32:6)PC 32:6ME544640----
PC(33:0)PC 33:0ME54464152922645---
PC(33:1)PC 33:1ME54464252922312---
PC(33:2)PC 33:2ME54464324778664---
PC(33:3)PC 33:3ME54464452922314---
PC(33:4)PC 33:4ME54464552922318---
PC(33:5)PC 33:5ME544646----
PC(34:0)PC 34:0ME54464718631368---
PC(34:1)PC 34:1ME5446485497103---
PC(34:2)PC 34:2ME5446495287971---
PC(34:3)PC 34:3ME54465024778699---
PC(34:4)PC 34:4ME54465124778634---
PC(34:5)PC 34:5ME54465224778635---
PC(35:0)PC 35:0ME54465352922322---
PC(35:1)PC 35:1ME54465452922324---
PC(35:2)PC 35:2ME54465552922326---
PC(35:3)PC 35:3ME54465652922328---
PC(35:4)PC 35:4ME54465752922330---
PC(35:5)PC 35:5ME54465852922332---
PC(36:1)PC 36:1ME54465924778825---
PC(36:2)PC 36:2ME5446606441487---
PC(36:3)PC 36:3ME54466124778715---
PC(36:4)PC 36:4ME5446625288075---
PC(36:5)PC 36:5ME54466324778723---
PC(36:6)PC 36:6ME54466424778639---
PC(37:1)PC 37:1ME54466553478651---
PC(37:2)PC 37:2ME54466652922338---
PC(37:3)PC 37:3ME544667----
PC(37:4)PC 37:4ME54466852922340---
PC(37:5)PC 37:5ME54466953478653---
PC(37:6)PC 37:6ME54467052922342---
PC(38:0)PC 38:0ME54467124778642---
PC(38:2)PC 38:2ME54467252923171---
PC(38:3)PC 38:3ME54467324778855---
PC(38:4)PC 38:4ME54467416219824---
PC(38:5)PC 38:5ME54467524778735---
PC(38:6)PC 38:6ME5446766441886---
PC(38:7)PC 38:7ME54467724778773---
PC(39:2)PC 39:2ME544678----
PC(39:3)PC 39:3ME544679----
PC(39:4)PC 39:4ME544680----
PC(39:5)PC 39:5ME544681----
PC(39:6)PC 39:6ME544682----
PC(39:7)PC 39:7ME544683----
PC(40:1)PC 40:1ME54468424778745---
PC(40:2)PC 40:2ME54468524779046---
PC(40:3)PC 40:3ME54468652922703---
PC(40:4)PC 40:4ME54468724778868---
PC(40:5)PC 40:5ME54468824778871---
PC(40:6)PC 40:6ME54468924778876---
PC(40:7)PC 40:7ME54469024778901---
PC(40:8)PC 40:8ME54469153478817---
PC(40:9)PC 40:9ME54469253478863---
PC(41:2)PC 41:2ME544693----
PC(41:3)PC 41:3ME544694----
PC(41:4)PC 41:4ME544695----
PC(41:5)PC 41:5ME544696----
PC(41:8)PC 41:8ME544697----
PC(42:0)PC 42:0ME54469824778880---
PC(42:10)PC 42:10ME54470453479109---
PC(42:2)PC 42:2ME54469952923085---
PC(42:4)PC 42:4ME54470053478821---
PC(42:5)PC 42:5ME54470124779052---
PC(42:6)PC 42:6ME54470224779053---
PC(42:7)PC 42:7ME54470352923147---
PC(43:2)PC 43:2ME544705----
PC(43:6)PC 43:6ME544706----
PC(44:1)PC 44:1ME54470724779057---
PC(44:10)PC 44:10ME54471252923669---
PC(44:12)PC 44:12ME54471324779134---
PC(44:3)PC 44:3ME54470853478933---
PC(44:5)PC 44:5ME54470953479047---
PC(44:6)PC 44:6ME54471052923483---
PC(44:7)PC 44:7ME54471153479213---
PC(46:1)PC 46:1ME54471424779122---
PC(46:2)PC 46:2ME54471553479217---
PC-O(28:1)PC O-28:1ME544716----
PC-O(30:0)PC O-30:0ME54471724779275---
PC-O(30:2)PC O-30:2ME54471853481703---
PC-O(32:0)PC O-32:0ME544719----
PC-O(32:1)PC O-32:1ME54472052923742---
PC-O(32:2)PC O-32:2ME54472153481705---
PC-O(32:3)PC O-32:3ME544722----
PC-O(33:3)PC O-33:3ME544723----
PC-O(33:6)PC O-33:6ME544724----
PC-O(34:0)PC O-34:0ME54472511803170---
PC-O(34:1)PC O-34:1ME5447266443119---
PC-O(34:2)PC O-34:2ME5447276443157---
PC-O(34:3)PC O-34:3ME54472853481709---
PC-O(34:4)PC O-34:4ME544729----
PC-O(35:3)PC O-35:3ME544730----
PC-O(35:4)PC O-35:4ME544731----
PC-O(36:1)PC O-36:1ME54473253481711---
PC-O(36:2)PC O-36:2ME5447336443070---
PC-O(36:3)PC O-36:3ME5447346443159---
PC-O(36:4)PC O-36:4ME54473553481701---
PC-O(36:5)PC O-36:5ME54473624779388---
PC-O(36:6)PC O-36:6ME544737----
PC-O(37:6)PC O-37:6ME544738----
PC-O(38:3)PC O-38:3ME54473953481729---
PC-O(38:4)PC O-38:4ME5447406443065---
PC-O(38:5)PC O-38:5ME54474124779379---
PC-O(38:6)PC O-38:6ME54474216759366---
PC-O(40:3)PC O-40:3ME54474353481745---
PC-O(40:4)PC O-40:4ME54474452923852---
PC-O(40:5)PC O-40:5ME54474553481743---
PC-O(40:6)PC O-40:6ME54474624779341---
PC-O(40:7)PC O-40:7ME544747----
PC-O(40:8)PC O-40:8ME544748----
PC-O(42:2)PC O-42:2ME54474953481741---
PC-O(42:3)PC O-42:3ME54475053481771---
PC-O(42:4)PC O-42:4ME54475153481751---
PC-O(42:5)PC O-42:5ME54475253481757---
PC-O(42:6)PC O-42:6ME544753----
PC-O(44:4)PC O-44:4ME54475453481761---
PC-O(44:5)PC O-44:5ME54475553481767---
PC-O(44:6)PC O-44:6ME54475653481755---
SM(30:1)SM 30:1;O2ME54476544260123---
SM(31:0)SM 31:0;O2ME544766----
SM(31:1)SM 31:1;O2ME544767----
SM(32:1)SM 32:1;O2ME54476811433862---
SM(32:2)SM 32:2;O2ME544769----
SM(33:1)SM 33:1;O2ME544770----
SM(33:2)SM 33:2;O2ME544771----
SM(34:1)SM 34:1;O2ME5447725283590---
SM(34:2)SM 34:2;O2ME544773----
SM(35:1)SM 35:1;O2ME544774----
SM(36:0)SM 36:0;O2ME54477544260130---
SM(36:1)SM 36:1;O2ME5447765283588---
SM(36:2)SM 36:2;O2ME5447776443882---
SM(37:1)SM 37:1;O2ME544778----
SM(38:1)SM 38:1;O2ME54477944260124---
SM(38:2)SM 38:2;O2ME54478053481783---
SM(38:3)SM 38:3;O2ME544781----
SM(39:1)SM 39:1;O2ME544782----
SM(39:2)SM 39:2;O2ME544783----
SM(40:1)SM 40:1;O2ME54478444260125---
SM(40:2)SM 40:2;O2ME54478552931202---
SM(40:4)SM 40:4;O2ME544786----
SM(41:1)SM 41:1;O2ME54478746891684---
SM(41:2)SM 41:2;O2ME54478852931208---
SM(42:1)SM 42:1;O2ME5447895283595---
SM(42:2)SM 42:2;O2ME54479044260126---
SM(42:3)SM 42:3;O2ME544791----
SM(43:1)SM 43:1;O2ME544792----
SM(43:2)SM 43:2;O2ME54479352931224---
SM(44:1)SM 44:1;O2ME5447945283597---
SM(44:2)SM 44:2;O2ME54479544260128---
TG(44:1)TG 44:1ME54455956936636---
TG(44:2)TG 44:2ME54456056936609---
TG(44:4)TG 44:4ME544561----
TG(46:2)TG 46:2ME54456253480484---
TG(48:1)TG 48:1ME544563----
TG(48:2)TG 48:2ME544564----
TG(48:3)TG 48:3ME544565----
TG(49:1)TG 49:1ME54456653481045---
TG(49:2)TG 49:2ME54456753481038---
TG(50:1)TG 50:1ME544568----
TG(50:2)TG 50:2ME5445699544010---
TG(50:3)TG 50:3ME544570----
TG(50:4)TG 50:4ME544571----
TG(51:1)TG 51:1ME544572----
TG(51:2)TG 51:2ME544573----
TG(51:3)TG 51:3ME54457453481033---
TG(51:4)TG 51:4ME544575----
TG(51:5)TG 51:5ME544576----
TG(52:2)TG 52:2ME5445779544078---
TG(52:3)TG 52:3ME54457814325553---
TG(52:4)TG 52:4ME544579----
TG(52:5)TG 52:5ME544580----
TG(52:6)TG 52:6ME544581----
TG(52:7)TG 52:7ME544582----
TG(53:3)TG 53:3ME544583----
TG(53:4)TG 53:4ME544584----
TG(53:5)TG 53:5ME544585----
TG(53:6)TG 53:6ME544586----
TG(54:2)TG 54:2ME5445876440172---
TG(54:3)TG 54:3ME544588----
TG(54:4)TG 54:4ME54458956939612---
TG(54:5)TG 54:5ME544590----
TG(54:6)TG 54:6ME544591100921577---
TG(54:7)TG 54:7ME544592----
TG(55:6)TG 55:6ME544593----
TG(55:7)TG 55:7ME544594----
TG(55:8)TG 55:8ME544595----
TG(55:9)TG 55:9ME544596----
TG(56:6)TG 56:6ME544597----
TG(56:7)TG 56:7ME5445989544695---
TG(56:8)TG 56:8ME544599----
TG(56:9)TG 56:9ME544600----


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
AC(10:0)CAR 10:0ME54480510245190---
AC(10:1)CAR 10:1ME54480653481699---
AC(10:2)CAR 10:2ME544807----
AC(10:3)CAR 10:3ME544808----
AC(11:0)CAR 11:0ME54480953477801---
AC(12:0)CAR 12:0ME544810168381---
AC(12:1)CAR 12:1ME54481153481671---
AC(13:0)CAR 13:0ME544812----
AC(14:0)CAR 14:0ME5448136426854---
AC(14:0-OH)CAR 14:0;OHME544814----
AC(14:1)CAR 14:1ME54481522833575---
AC(14:1-DC)CAR DC14:1ME544816----
AC(14:1-OH)CAR 14:1;OHME54481753481699---
AC(14:2)CAR 14:2ME544818----
AC(14:2-OH)CAR 14:2;OHME544819----
AC(16:0)CAR 16:0ME544820461---
AC(16:1)CAR 16:1ME54482153477817---
AC(16:1-OH)CAR 16:1;OHME54482253481699---
AC(16:2)CAR 16:2ME544823----
AC(18:0)CAR 18:0ME54482452922056---
AC(18:1)CAR 18:1ME54482546907933---
AC(18:2)CAR 18:2ME5448266450015---
AC(4:0-DC)CAR DC4:0ME54479653481699---
AC(5:0-DC)CAR DC5:0ME54479753481699---
AC(5:0-OH)CAR 5:0;OHME54479853481699---
AC(5:1-DC)CAR DC5:1ME54479953481699---
AC(6:0)CAR 6:0ME5448003246938---
AC(6:0-OH)CAR 6:0;OHME54480153481699---
AC(8:0)CAR 8:0ME544802123701---
AC(8:1)CAR 8:1ME54480370679121---
AC(8:1-OH)CAR 8:1;OHME544804----


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