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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
1-Met-His1-MethylhistidineME314382----
3-IAAIndoleacetic acidME314380----
3-IPA3-Indolepropionic acidME314381----
3-Met-His3-MethylhistidineME314383----
5-AVA5-Aminopentanoic acidME314384----
AABA2-Aminobutyric acidME314385----
ADMADimethylarginineME314386----
AlaAlanineME314353----
alpha-AAAAminoadipic acidME314387----
AnserineAnserineME314388----
ArgArginineME314354----
AsnAsparagineME314355----
AspAspartic acidME314356----
BABA3-Aminobutyric acidME314389----
beta-Alabeta-AlanineME314373----
BetaineBetaineME314390----
c4-OH-Procis-4-HydroxyprolineME314391----
CarnosineCarnosineME314392----
CholineCholineME314411----
CitCitric acidME314393----
CortisolCortisolME314409----
CortisoneCortisoneME314410----
CreatinineCreatinineME314394----
CysCysteineME314357----
CystineCystineME314395----
DOPADOPAME314396----
GABAgamma-Aminobutyric acidME314374----
GlnGlutamineME314358----
GluGlutamic acidME314359----
GlyGlycineME314360----
HArgHomoarginineME314397----
HCysHomocysteineME314398----
HisHistidineME314361----
HistamineHistamineME314375----
IleIsoleucineME314362----
KynurenineKynurenineME314399----
LeuLeucineME314363----
LysLysineME314364----
MetMethionineME314365----
Met-SOMethionine sulfoxideME314400----
OrnOrnithineME314401----
PAGPhenylacetylglycineME314402----
PhePhenylalanineME314366----
ProProlineME314367----
ProBetaineProline betaineME314403----
PutrescinePutrescineME314376----
SarcosineSarcosineME314404----
SDMASymmetric dimethylarginineME314405----
SerSerineME314368----
SerotoninSerotoninME314377----
SpermidineSpermidineME314378----
SpermineSpermineME314379----
t4-OH-Protrans-4-HydroxyprolineME314406----
TaurineTaurineME314407----
ThrThreonineME314369----
TMAOTrimethylamine N-oxideME314412----
TrpTryptophanME314370----
TrpBetaineLenticinME314408----
TyrTyrosineME314371----
ValValineME314372----


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
AAArachidonic acidME314425----
AbsAcidAbscisic acidME314445----
AconAcidcis-Aconitic acidME314437----
CACholic acidME314413----
CDCAChenodeoxycholic acidME314414----
DCADeoxycholic acidME314415----
DHADHAME314426----
DHEASDehydroepiandrosterone sulfateME314446----
DiCA(12:0)Dodecanedioic acidME314438----
EPAEPAME314427----
FA(12:0)Lauric acidME314428----
FA(14:0)Myristic acidME314429----
FA(16:0)Palmitic acidME314430----
FA(18:0)Stearic acidME314431----
FA(18:1)Octadecenoic acidME314432----
FA(18:2)Octadecadienoic acidME314433----
FA(20:1)Eicosenoic acidME314434----
FA(20:2)Eicosadienoic acidME314435----
FA(20:3)Eicosatrienoic acidME314436----
GCAGlycocholic acidME314416----
GCDCAGlycochenodeoxycholic acidME314417----
GDCAGlycodeoxycholic acidME314418----
GLCAGlycolithocholic acidME314419----
GLCASSulfoglycolithocholic acidME314420----
HipAcidHippuric acidME314439----
Ind-SO4Indoxyl sulfateME314443----
LacLactic acidME314440----
OH-GlutAcid3-Hydroxyglutaric acidME314441----
p-Cresol-SO4p-Cresol sulfateME314444----
SucSuccinic acidME314442----
TCATaurocholic acidME314421----
TCDCATaurochenodeoxycholic acidME314422----
TDCATaurodeoxycholic acidME314423----
TLCATaurolithocholic acidME314424----


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
C0CarnitineME314447----
C10CAR 10:0ME314462----
C10:1CAR 10:1ME314463----
C10:2CAR 10:2ME314464----
C12CAR 12:0ME314465----
C12:1CAR 12:1ME314467----
C12-DCCAR DC12:0ME314466----
C14CAR 14:0ME314468----
C14:1CAR 14:1ME314469----
C14:1-OHCAR 14:1;OHME314470----
C14:2CAR 14:2ME314471----
C14:2-OHCAR 14:2;OHME314472----
C16CAR 16:0ME314473----
C16:1CAR 16:1ME314475----
C16:1-OHCAR 16:1;OHME314476----
C16:2CAR 16:2ME314477----
C16:2-OHCAR 16:2;OHME314478----
C16-OHCAR 16:0ME314474----
C18CAR 18:0ME314479----
C18:1CAR 18:1ME314480----
C18:1-OHCAR 18:1;OHME314481----
C18:2CAR 18:2ME314482----
C2CAR 2:0ME314448----
C3CAR 3:0ME314449----
C3-DC (C4-OH)CAR DC3:0ME314450----
C3-OHCAR 3:0;OHME314451----
C4CAR 4:0ME314452----
C5CAR 5:0ME314453----
C5:1CAR 5:1ME314457----
C5-DC (C6-OH)CAR DC5:0ME314454----
C5-M-DCCAR DC5:0;3MeME314455----
C5-OH (C3-DC-M)CAR 5:0;OHME314456----
C6 (C4:1-DC)CAR 6:0ME314458----
C7-DCCAR DC7:0ME314459----
C8CAR 8:0ME314460----
C9CAR 9:0ME314461----
CE(14:0)CE 14:0ME314588----
CE(14:1)CE 14:1ME314589----
CE(15:0)CE 15:0ME314590----
CE(15:1)CE 15:1ME314591----
CE(16:0)CE 16:0ME314592----
CE(16:1)CE 16:1ME314593----
CE(17:0)CE 17:0ME314594----
CE(17:1)CE 17:1ME314595----
CE(18:0)CE 18:0ME314596----
CE(18:1)CE 18:1ME314597----
CE(18:2)CE 18:2ME314598----
CE(18:3)CE 18:3ME314599----
CE(20:1)CE 20:1ME314600----
CE(20:3)CE 20:3ME314601----
CE(20:4)CE 20:4ME314602----
CE(20:5)CE 20:5ME314603----
CE(22:5)CE 22:5ME314604----
CE(22:6)CE 22:6ME314605----
Cer(d18:0/18:0)Cer 18:0;O2/18:0ME314613----
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME314606----
Cer(d18:1/18:0)Cer 18:1;O2/18:0ME314607----
Cer(d18:1/22:0)Cer 18:1;O2/22:0ME314608----
Cer(d18:1/23:0)Cer 18:1;O2/23:0ME314609----
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME314610----
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME314611----
Cer(d18:1/25:0)Cer 18:1;O2/25:0ME314612----
DG(14:0_20:0)DG 14:0_20:0ME314614----
DG(16:0_16:0)DG 16:0_16:0ME314615----
DG(16:0_18:1)DG 16:0_18:1ME314616----
DG(16:0_20:0)DG 16:0_20:0ME314617----
DG(16:1_18:1)DG 16:1_18:1ME314618----
DG(18:1_18:1)DG 18:1_18:1ME314619----
DG(18:1_18:2)DG 18:1_18:2ME314620----
DG(18:1_18:4)DG 18:1_18:4ME314621----
DG(18:1_20:0)DG 18:1_20:0ME314622----
DG(18:1_20:1)DG 18:1_20:1ME314623----
DG(18:1_22:6)DG 18:1_22:6ME314624----
DG(18:2_18:2)DG 18:2_18:2ME314625----
H1HexoseME314587----
Hex2Cer(d18:1/16:0)Hex2Cer 18:1;O2/16:0ME314626----
Hex2Cer(d18:1/18:0)Hex2Cer 18:1;O2/18:0ME314627----
Hex2Cer(d18:1/24:0)Hex2Cer 18:1;O2/24:0ME314628----
Hex2Cer(d18:1/24:1)Hex2Cer 18:1;O2/24:1ME314629----
Hex3Cer(d18:1/16:0)Hex3Cer 18:1;O2/16:0ME314630----
Hex3Cer(d18:1/18:0)Hex3Cer 18:1;O2/18:0ME314631----
HexCer(d18:1/16:0)HexCer 18:1;O2/16:0ME314632----
HexCer(d18:1/23:0)HexCer 18:1;O2/23:0ME314633----
HexCer(d18:1/24:0)HexCer 18:1;O2/24:0ME314634----
HexCer(d18:1/24:1)HexCer 18:1;O2/24:1ME314635----
lysoPC a C14:0LPC 14:0ME314483----
lysoPC a C16:0LPC 16:0ME314484----
lysoPC a C16:1LPC 16:1ME314485----
lysoPC a C17:0LPC 17:0ME314486----
lysoPC a C18:0LPC 18:0ME314487----
lysoPC a C18:1LPC 18:1ME314488----
lysoPC a C18:2LPC 18:2ME314489----
lysoPC a C20:3LPC 20:3ME314490----
lysoPC a C20:4LPC 20:4ME314491----
lysoPC a C24:0LPC 24:0ME314492----
lysoPC a C26:0LPC 26:0ME314493----
lysoPC a C26:1LPC 26:1ME314494----
lysoPC a C28:0LPC 28:0ME314495----
lysoPC a C28:1LPC 28:1ME314496----
PC aa C24:0PC 24:0ME314497----
PC aa C26:0PC 26:0ME314498----
PC aa C28:1PC 28:1ME314499----
PC aa C30:0PC 30:0ME314500----
PC aa C30:2PC 30:2ME314501----
PC aa C32:0PC 32:0ME314502----
PC aa C32:1PC 32:1ME314503----
PC aa C32:2PC 32:2ME314504----
PC aa C32:3PC 32:3ME314505----
PC aa C34:1PC 34:1ME314506----
PC aa C34:2PC 34:2ME314507----
PC aa C34:3PC 34:3ME314508----
PC aa C34:4PC 34:4ME314509----
PC aa C36:0PC 36:0ME314510----
PC aa C36:1PC 36:1ME314511----
PC aa C36:2PC 36:2ME314512----
PC aa C36:3PC 36:3ME314513----
PC aa C36:4PC 36:4ME314514----
PC aa C36:5PC 36:5ME314515----
PC aa C36:6PC 36:6ME314516----
PC aa C38:0PC 38:0ME314517----
PC aa C38:1PC 38:1ME314518----
PC aa C38:3PC 38:3ME314519----
PC aa C38:4PC 38:4ME314520----
PC aa C38:5PC 38:5ME314521----
PC aa C38:6PC 38:6ME314522----
PC aa C40:1PC 40:1ME314523----
PC aa C40:2PC 40:2ME314524----
PC aa C40:3PC 40:3ME314525----
PC aa C40:4PC 40:4ME314526----
PC aa C40:5PC 40:5ME314527----
PC aa C40:6PC 40:6ME314528----
PC aa C42:0PC 42:0ME314529----
PC aa C42:1PC 42:1ME314530----
PC aa C42:2PC 42:2ME314531----
PC aa C42:4PC 42:4ME314532----
PC aa C42:5PC 42:5ME314533----
PC aa C42:6PC 42:6ME314534----
PC ae C30:0PC O-30:0ME314535----
PC ae C30:1PC O-30:1ME314536----
PC ae C30:2PC O-30:2ME314537----
PC ae C32:1PC O-32:1ME314538----
PC ae C32:2PC O-32:2ME314539----
PC ae C34:0PC O-34:0ME314540----
PC ae C34:1PC O-34:1ME314541----
PC ae C34:2PC O-34:2ME314542----
PC ae C34:3PC O-34:3ME314543----
PC ae C36:0PC O-36:0ME314544----
PC ae C36:1PC O-36:1ME314545----
PC ae C36:2PC O-36:2ME314546----
PC ae C36:3PC O-36:3ME314547----
PC ae C36:4PC O-36:4ME314548----
PC ae C36:5PC O-36:5ME314549----
PC ae C38:0PC O-38:0ME314550----
PC ae C38:1PC O-38:1ME314551----
PC ae C38:2PC O-38:2ME314552----
PC ae C38:3PC O-38:3ME314553----
PC ae C38:4PC O-38:4ME314554----
PC ae C38:5PC O-38:5ME314555----
PC ae C38:6PC O-38:6ME314556----
PC ae C40:1PC O-40:1ME314557----
PC ae C40:2PC O-40:2ME314558----
PC ae C40:3PC O-40:3ME314559----
PC ae C40:4PC O-40:4ME314560----
PC ae C40:5PC O-40:5ME314561----
PC ae C40:6PC O-40:6ME314562----
PC ae C42:0PC O-42:0ME314563----
PC ae C42:1PC O-42:1ME314564----
PC ae C42:2PC O-42:2ME314565----
PC ae C42:3PC O-42:3ME314566----
PC ae C42:4PC O-42:4ME314567----
PC ae C42:5PC O-42:5ME314568----
PC ae C44:3PC O-44:3ME314569----
PC ae C44:4PC O-44:4ME314570----
PC ae C44:5PC O-44:5ME314571----
PC ae C44:6PC O-44:6ME314572----
SM C16:0SM 18:1;O2/16:0ME314578----
SM C16:1SM 18:1;O2/16:1ME314579----
SM C18:0SM 18:1;O2/18:0ME314580----
SM C18:1SM 18:1;O2/18:1ME314581----
SM C20:2SM 18:1;O2/20:2ME314582----
SM C24:0SM 18:1;O2/24:0ME314583----
SM C24:1SM 18:1;O2/24:1ME314584----
SM C26:0SM 18:1;O2/26:0ME314585----
SM C26:1SM 18:1;O2/26:1ME314586----
SM (OH) C14:1SM 18:1;O2/14:1;OME314573----
SM (OH) C16:1SM 18:1;O2/16:1;OME314574----
SM (OH) C22:1SM 18:1;O2/22:1;OME314575----
SM (OH) C22:2SM 18:1;O2/22:2;OME314576----
SM (OH) C24:1SM 18:1;O2/24:1;OME314577----
TG(14:0_34:0)TG 14:0_34:0*ME314636----
TG(14:0_34:1)TG 14:0_34:1*ME314637----
TG(14:0_34:2)TG 14:0_34:2*ME314638----
TG(14:0_35:1)TG 14:0_35:1*ME314639----
TG(14:0_36:1)TG 14:0_36:1*ME314640----
TG(14:0_36:2)TG 50:2_14:0ME314641----
TG(14:0_36:3)TG 14:0_36:3*ME314642----
TG(16:0_28:1)TG 44:1_16:0ME314643----
TG(16:0_32:0)TG 16:0_32:0*ME314644----
TG(16:0_32:1)TG 16:0_32:1*ME314645----
TG(16:0_32:2)TG 16:0_32:2*ME314646----
TG(16:0_33:1)TG 16:0_33:1*ME314647----
TG(16:0_33:2)TG 16:0_33:2*ME314648----
TG(16:0_34:0)TG 16:0_34:0*ME314649----
TG(16:0_34:1)TG 16:0_34:1*ME314650----
TG(16:0_34:2)TG 16:0_34:2*ME314651----
TG(16:0_34:3)TG 16:0_34:3*ME314652----
TG(16:0_35:1)TG 16:0_35:1*ME314653----
TG(16:0_35:2)TG 16:0_35:2*ME314654----
TG(16:0_35:3)TG 51:3_16:0ME314655----
TG(16:0_36:2)TG 16:0_36:2*ME314656----
TG(16:0_36:3)TG 52:3_16:0ME314657----
TG(16:0_36:4)TG 16:0_36:4*ME314658----
TG(16:0_38:1)TG 16:0_38:1*ME314659----
TG(16:0_38:2)TG 16:0_38:2*ME314660----
TG(16:0_38:3)TG 16:0_38:3*ME314661----
TG(16:0_38:7)TG 16:0_38:7*ME314662----
TG(16:1_28:0)TG 16:1_28:0*ME314663----
TG(16:1_30:1)TG 16:1_30:1*ME314664----
TG(16:1_32:0)TG 16:1_32:0*ME314665----
TG(16:1_32:1)TG 16:1_32:1*ME314666----
TG(16:1_32:2)TG 16:1_32:2*ME314667----
TG(16:1_33:1)TG 16:1_33:1*ME314668----
TG(16:1_34:0)TG 16:1_34:0*ME314669----
TG(16:1_34:1)TG 16:1_34:1*ME314670----
TG(16:1_34:2)TG 16:1_34:2*ME314671----
TG(16:1_36:1)TG 16:1_36:1*ME314672----
TG(16:1_36:2)TG 16:1_36:2*ME314673----
TG(16:1_36:3)TG 16:1_36:3*ME314674----
TG(17:0_32:1)TG 17:0_32:1*ME314675----
TG(17:0_34:1)TG 17:0_34:1*ME314676----
TG(17:0_34:2)TG 17:0_34:2*ME314677----
TG(17:1_32:1)TG 17:1_32:1*ME314678----
TG(17:1_34:1)TG 17:1_34:1*ME314679----
TG(17:1_34:2)TG 17:1_34:2*ME314680----
TG(18:0_30:0)TG 18:0_30:0*ME314681----
TG(18:0_30:1)TG 18:0_30:1*ME314682----
TG(18:0_32:0)TG 18:0_32:0*ME314683----
TG(18:0_32:1)TG 18:0_32:1*ME314684----
TG(18:0_32:2)TG 18:0_32:2*ME314685----
TG(18:0_34:2)TG 18:0_34:2*ME314686----
TG(18:0_34:3)TG 18:0_34:3*ME314687----
TG(18:0_36:1)TG 18:0_36:1*ME314688----
TG(18:0_36:2)TG 18:0_36:2*ME314689----
TG(18:0_36:3)TG 18:0_36:3*ME314690----
TG(18:0_36:4)TG 18:0_36:4*ME314691----
TG(18:0_36:5)TG 18:0_36:5*ME314692----
TG(18:0_38:7)TG 18:0_38:7*ME314693----
TG(18:1_26:0)TG 18:1_26:0*ME314694----
TG(18:1_28:1)TG 18:1_28:1*ME314695----
TG(18:1_30:0)TG 18:1_30:0*ME314696----
TG(18:1_30:1)TG 18:1_30:1*ME314697----
TG(18:1_31:0)TG 18:1_31:0*ME314698----
TG(18:1_32:0)TG 18:1_32:0*ME314699----
TG(18:1_32:1)TG 18:1_32:1*ME314700----
TG(18:1_32:2)TG 18:1_32:2*ME314701----
TG(18:1_33:0)TG 18:1_33:0*ME314702----
TG(18:1_33:1)TG 51:2_18:1ME314703----
TG(18:1_33:2)TG 51:3_18:1ME314704----
TG(18:1_34:1)TG 52:2_18:1ME314705----
TG(18:1_34:2)TG 52:3_18:1ME314706----
TG(18:1_34:3)TG 18:1_34:3*ME314707----
TG(18:1_35:2)TG 53:3_18:1ME314708----
TG(18:1_36:0)TG 18:1_36:0*ME314709----
TG(18:1_36:1)TG 18:1_36:1*ME314710----
TG(18:1_36:2)TG 54:3_18:1ME314711----
TG(18:1_36:3)TG 18:1_36:3*ME314712----
TG(18:1_36:4)TG 18:1_36:4*ME314713----
TG(18:1_36:5)TG 18:1_36:5*ME314714----
TG(18:1_38:5)TG 18:1_38:5*ME314715----
TG(18:1_38:7)TG 18:1_38:7*ME314716----
TG(18:2_30:0)TG 18:2_30:0*ME314717----
TG(18:2_30:1)TG 18:2_30:1*ME314718----
TG(18:2_31:0)TG 18:2_31:0*ME314719----
TG(18:2_32:0)TG 18:2_32:0*ME314720----
TG(18:2_32:1)TG 50:3_18:2ME314721----
TG(18:2_32:2)TG 50:4_18:2ME314722----
TG(18:2_33:0)TG 18:2_33:0*ME314723----
TG(18:2_33:1)TG 18:2_33:1*ME314724----
TG(18:2_33:2)TG 51:4_18:2ME314725----
TG(18:2_34:0)TG 18:2_34:0*ME314726----
TG(18:2_34:1)TG 18:2_34:1*ME314727----
TG(18:2_34:2)TG 18:2_34:2*ME314728----
TG(18:2_34:3)TG 18:2_34:3*ME314729----
TG(18:2_35:1)TG 53:3_18:2ME314730----
TG(18:2_35:2)TG 18:2_35:2*ME314731----
TG(18:2_36:0)TG 54:2_18:2ME314732----
TG(18:2_36:1)TG 18:2_36:1*ME314733----
TG(18:2_36:2)TG 18:2_36:2*ME314734----
TG(18:2_36:3)TG 18:2_36:3*ME314735----
TG(18:2_36:4)TG 18:2_36:4*ME314736----
TG(18:3_32:0)TG 18:3_32:0*ME314737----
TG(18:3_34:0)TG 18:3_34:0*ME314738----
TG(18:3_34:1)TG 18:3_34:1*ME314739----
TG(18:3_36:1)TG 18:3_36:1*ME314740----
TG(18:3_36:2)TG 18:3_36:2*ME314741----
TG(18:3_36:3)TG 54:6_18:3ME314742----
TG(20:0_34:1)TG 20:0_34:1*ME314743----
TG(20:1_24:3)TG 20:1_24:3*ME314744----
TG(20:1_31:0)TG 20:1_31:0*ME314745----
TG(20:5_34:1)TG 20:5_34:1*ME314746----
TG(22:5_32:0)TG 22:5_32:0*ME314747----


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