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Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2/3-PG-ME826809----
6-Phosphogluconic acid6-Phosphogluconic acidME826832----
Aconitatetrans-Aconitic acidME826827----
AdenineAdenineME826819----
ADPADPME826838----
a-KG2-Oxoglutaric acidME826820----
AlanineAlanineME826803----
AMPAMPME826837----
ArginineArginineME826828----
AsparagineAsparagineME826812----
AspartateAspartic acidME826813----
ATPATPME826839----
CitrateCitric acidME826830----
DHAPDihydroxyacetone phosphateME826807----
FADFADME826846----
Fructose-bisphosphateFructose 1,6-bisphosphateME826831----
FumarateFumaric acidME826810----
GluconateGluconic acidME826849----
GlucoseGlucoseME826829----
Glucose-6-phosphateGlucose 6-phosphateME826825----
GlutamateGlutamic acidME826822----
GlutamineGlutamineME826821----
GlutathioneGlutathioneME826836----
Glutathione, oxidizedOxidized glutathioneME826842----
Glycerol 3-phosphatesn-Glycero-3-phosphateME826808----
GlycineGlycineME826801----
IsoleucineIsoleucineME826851----
LactateLactic acidME826804----
LeucineLeucineME826818----
LysineLysineME826826----
MalateMalic acidME826814----
MethionineMethionineME826823----
NADNADME826843----
NADHNADHME826844----
NADPHNADPHME826845----
PhenylalaninePhenylalanineME826833----
PhosphoenolpyruvatePhosphoenolpyruvic acidME826806----
ProlineProlineME826816----
PyruvatePyruvic acidME826802----
Ribose-5-phosphateRibose 5-phosphateME826824----
Ribulose-5-phosphateRibulose 5-phosphateME826848----
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME826850----
SerineSerineME826805----
SuccinateSuccinic acidME826811----
ThreonineThreonineME826815----
TyrosineTyrosineME826834----
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME826841----
UMPUMPME826835----
Uridine 5'-diphosphoglucuronic acidUDP-glucuronic acidME826840----
ValineValineME826817----
Xylulose-5-phosphateXylulose 5-phosphateME826847----


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2/3-PG-ME826856----
2KIVA-ME826926----
3-Indoleacrylic acidIndoleacrylic acidME826919----
AcetylcarnitineCAR 2:0ME826922----
Acetyl-LysineN(2)-AcetyllysineME826920----
Aconitatetrans-Aconitic acidME826864----
AdenineAdenineME826888----
ADPADPME826899----
a-KG2-Oxoglutaric acidME826865----
AlanineAlanineME826872----
AMPAMPME826898----
ArginineArginineME826882----
AsparagineAsparagineME826877----
AspartateAspartic acidME826871----
ATPATPME826900----
CarnitineCarnitineME826918----
CDPCDPME826905----
CDP-CholineCDP-cholineME826906----
CitrateCitric acidME826863----
CMPCMPME826904----
Cysteine-glutathione disulfideS-Glutathionyl-cysteineME826925----
CytidineCytidineME826892----
dGTPdGTPME826910----
DHAPDihydroxyacetone phosphateME826855----
FADFADME826907----
Fructose-bisphosphateFructose 1,6-bisphosphateME826854----
FumarateFumaric acidME826867----
GDPGDPME826909----
GlcNAc-Phosphate-ME826915----
Glucosamine-6-phosphateGlucosamine 6-phosphateME826914----
GlucoseGlucoseME826852----
Glucose-6-phosphateGlucose 6-phosphateME826853----
Glu-glnGlu-GlnME826923----
GlutamateGlutamic acidME826869----
GlutamineGlutamineME826870----
Glutathione, oxidizedOxidized glutathioneME826894----
Glutathione, reducedGlutathioneME826893----
Glycerol 3-phosphatesn-Glycero-3-phosphateME826887----
GlycineGlycineME826873----
GMPGMPME826908----
GuanosineGuanosineME826890----
HistidineHistidineME826879----
IsoleucineIsoleucineME826876----
LactateLactic acidME826859----
LeucineLeucineME826875----
LysineLysineME826881----
MalateMalic acidME826868----
MethionineMethionineME826880----
MethyladenosineMethyladenosineME826924----
NAD+NADME826901----
NADHNADHME826902----
NADP+NADPME826903----
N,N-DimethylarginineDimethylarginineME826921----
PhenylalaninePhenylalanineME826883----
PhosphoenolpyruvatePhosphoenolpyruvic acidME826857----
ProlineProlineME826878----
PyruvatePyruvic acidME826858----
Ribose-5-phosphateRibose 5-phosphateME826860----
S-AdenosylhomocysteineS-AdenosylhomocysteineME826916----
S-AdenosylmethionineS-AdenosylmethionineME826917----
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME826862----
SerineSerineME826884----
SuccinateSuccinic acidME826866----
ThreonineThreonineME826885----
TyrosineTyrosineME826886----
UDPUDPME826896----
UDP-glucose / UDP-galatose-ME826911----
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME826913----
UMPUMPME826895----
UracilUracilME826889----
UridineUridineME826891----
Uridine 5'-diphosphoglucuronic acidUDP-glucuronic acidME826912----
UTPUTPME826897----
ValineValineME826874----
Xylulose-5-phosphateXylulose 5-phosphateME826861----


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
C14 Sphinganine-ME826979----
C14 Sphinganine-1 phosphate-ME826980----
C14 SphingosineC14 SphingosineME826981----
Cer 14:0;2O/18:0Cer 14:0;O2/18:0ME826942----
Cer 14:0;2O/20:0Cer 14:0;O2/20:0ME826943----
Cer 14:0;2O/24:0Cer 14:0;O2/24:0ME826944----
Cer 14:1;2O/18:0Cer 14:1;O2/18:0ME826927----
Cer 14:1;2O/20:0Cer 14:1;O2/20:0ME826928----
Cer 14:1;2O/24:0Cer 14:1;O2/24:0ME826929----
CerPE d14:1;2O/16:0-ME826937----
CerPE d14:1;2O/18:0-ME826938----
CerPE d14:1;2O/20:0-ME826939----
CerPE d14:1;2O/22:0-ME826940----
CerPE d14:1;2O/24:0-ME826941----
DG 16:1_18:3DG 16:1_18:3ME826946----
DG 18:1_18:1DG 18:1_18:1ME826947----
GlcCer d14:0/18:0GlcCer 14:0;O2/18:0ME826930----
GlcCer d14:0/20:0GlcCer 14:0;O2/20:0ME826931----
GlcCer d14:0/22:0GlcCer 14:0;O2/22:0ME826932----
GlcCer d14:0/24:0GlcCer 14:0;O2/24:0ME826933----
GlcCer d14:1/18:0GlcCer 14:1;O2/18:0ME826934----
GlcCer d14:1/20:0GlcCer 14:1;O2/20:0ME826935----
GlcCer d14:1/22:0GlcCer 14:1;O2/22:0ME826936----
HexCer 14:0;2O/18:0HexCer 14:0;O2/18:0ME826948----
HexCer 14:0;2O/20:0HexCer 14:0;O2/20:0ME826949----
HexCer 14:0;2O/22:0HexCer 14:0;O2/22:0ME826950----
Lauroyl-CoALauroyl-CoAME826945----
LPE 34:1LPE 34:1*ME826951----
LPE 36:1LPE 36:1*ME826952----
LPE 36:3LPE 36:3*ME826953----
PC 13:0_22:3PC 13:0_22:3*ME826954----
PC 14:1_20:2PC 14:1_20:2ME826955----
PC 14:1_22:4PC 14:1_22:4ME826956----
PC 17:0_17:0PC 17:0/17:0ME826957----
PC 17:2_17:2PC 17:2/17:2ME826958----
PC 18:1_18:1PC 18:1/18:1ME826959----
PC 18:2_18:2PC 18:2/18:2ME826960----
PC 18:3_18:3PC 18:3/18:3ME826961----
PE 10:0_26:3PE 10:0_26:3*ME826962----
PE 14:1_20:2PE 14:1_20:2ME826963----
PE 17:0_17:0PE 17:0/17:0ME826964----
PE 17:2_17:2PE 17:2/17:2ME826965----
PE 18:0_18:5PE 18:0_18:5*ME826966----
PE 18:1_18:1PE 18:1/18:1ME826967----
PE 18:2_18:2PE 18:2/18:2ME826968----
PS 18:0_18:3PS 18:0_18:3ME826969----
PS 18:1_18:1PS 18:1/18:1ME826970----
TG 14:1_16:1_18:2TG 14:1_16:1_18:2ME826971----
TG 16:0_16:0_16:1TG 16:0_16:0_16:1ME826972----
TG 16:0_16:1_18:2TG 16:0_16:1_18:2ME826973----
TG 16:0_18:1_18:1TG 16:0_18:1_18:1ME826974----
TG 16:1_16:1_18:2TG 16:1_16:1_18:2ME826975----
TG 16:1_16:1_18:3TG 16:1_16:1_18:3ME826976----
TG 16:1_18:2_18:2TG 16:1_18:2_18:2ME826977----
TG 16:1_18:2_18:3TG 16:1_18:2_18:3ME826978----


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
C14 Sphinganine-ME827022----
C14 Sphinganine-1 phosphate-ME827023----
C14 SphingosineC14 SphingosineME827024----
C14 Sphingosine-1 phosphate-ME827025----
Cer 14:0;2O/18:0Cer 14:0;O2/18:0ME827026----
Cer 14:0;2O/20:0Cer 14:0;O2/20:0ME827027----
Cer 14:0;2O/24:0Cer 14:0;O2/24:0ME827028----
Cer 14:1;2O/18:0Cer 14:1;O2/18:0ME826982----
Cer 14:1;2O/20:0Cer 14:1;O2/20:0ME826983----
Cer 14:1;2O/24:0Cer 14:1;O2/24:0ME826984----
CerPE d14:1;2O/16:0-ME827036----
CerPE d14:1;2O/18:0-ME827037----
CerPE d14:1;2O/20:0-ME827038----
CerPE d14:1;2O/22:0-ME827039----
CerPE d14:1;2O/24:0-ME827040----
CL 32:2_34:2-ME826985----
CL 34:4_34:3-ME826986----
DG 16:1_18:3DG 16:1_18:3ME826987----
DG 18:1_18:1DG 18:1_18:1ME826988----
GlcCer d14:0/18:0GlcCer 14:0;O2/18:0ME827029----
GlcCer d14:0/20:0GlcCer 14:0;O2/20:0ME827030----
GlcCer d14:0/22:0GlcCer 14:0;O2/22:0ME827031----
GlcCer d14:0/24:0GlcCer 14:0;O2/24:0ME827032----
GlcCer d14:1/18:0GlcCer 14:1;O2/18:0ME827033----
GlcCer d14:1/20:0GlcCer 14:1;O2/20:0ME827034----
GlcCer d14:1/22:0GlcCer 14:1;O2/22:0ME827035----
HexCer 14:0;2O/18:0HexCer 14:0;O2/18:0ME826989----
HexCer 14:0;2O/20:0HexCer 14:0;O2/20:0ME826990----
HexCer 14:0;2O/22:0HexCer 14:0;O2/22:0ME826991----
LPE 34:1LPE 34:1*ME826992----
LPE 36:1LPE 36:1*ME826993----
LPE 36:3LPE 36:3*ME826994----
PC 13:0_22:3PC 13:0_22:3*ME826995----
PC 14:1_20:2PC 14:1_20:2ME826996----
PC 14:1_22:4PC 14:1_22:4ME826997----
PC 17:0_17:0PC 17:0/17:0ME826998----
PC 17:2_17:2PC 17:2/17:2ME826999----
PC 18:1_18:1PC 18:1/18:1ME827000----
PC 18:2_18:2PC 18:2/18:2ME827001----
PC 18:3_18:3PC 18:3/18:3ME827002----
PE 10:0_26:3PE 10:0_26:3*ME827003----
PE 14:1_20:2PE 14:1_20:2ME827004----
PE 17:0_17:0PE 17:0/17:0ME827005----
PE 17:2_17:2PE 17:2/17:2ME827006----
PE 18:0_18:5PE 18:0_18:5*ME827007----
PE 18:1_18:1PE 18:1/18:1ME827008----
PE 18:2_18:2PE 18:2/18:2ME827009----
PI 36:6PI 36:6ME827010----
PS 18:0_18:3PS 18:0_18:3ME827011----
PS 18:1_18:1PS 18:1/18:1ME827012----
TG 12:0_16:1_18:3TG 12:0_16:1_18:3ME827013----
TG 14:1_16:1_18:2TG 14:1_16:1_18:2ME827014----
TG 16:0_16:0_16:1TG 16:0_16:0_16:1ME827015----
TG 16:0_16:1_18:2TG 16:0_16:1_18:2ME827016----
TG 16:0_18:1_18:1TG 16:0_18:1_18:1ME827017----
TG 16:1_16:1_18:2TG 16:1_16:1_18:2ME827018----
TG 16:1_16:1_18:3TG 16:1_16:1_18:3ME827019----
TG 16:1_18:2_18:2TG 16:1_18:2_18:2ME827020----
TG 16:1_18:2_18:3TG 16:1_18:2_18:3ME827021----


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