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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
Ac-OrnN-AcetylornithineME474226----
ADMADimethylarginineME474227----
AlaAlanineME474247----
alpha-AAA-ME474228----
ArgArginineME474248----
AsnAsparagineME474249----
AspAspartic acidME474250----
c4-OH-Procis-4-HydroxyprolineME474229----
CarnosineCarnosineME474230----
CitCitric acidME474251----
CreatinineCreatinineME474231----
DOPADOPAME474232----
DopamineDopamineME474233----
GlnGlutamineME474252----
GluGlutamic acidME474253----
GlyGlycineME474254----
HisHistidineME474255----
HistamineHistamineME474234----
IleIsoleucineME474256----
KynurenineKynurenineME474235----
LeuLeucineME474257----
LysLysineME474258----
MetMethionineME474259----
Met-SOMethionine sulfoxideME474236----
Nitro-TyrNitrotyrosineME474237----
OrnOrnithineME474260----
PEAPhosphoethanolamineME474238----
PhePhenylalanineME474261----
ProProlineME474262----
PutrescinePutrescineME474239----
SDMASymmetric dimethyl-arginineME474240----
SerSerineME474263----
SerotoninSerotoninME474241----
SpermidineSpermidineME474242----
SpermineSpermineME474243----
t4-OH-Pro-ME474244----
TaurineTaurineME474245----
ThrThreonineME474264----
total DMA-ME474246----
TrpTryptophanME474265----
TyrTyrosineME474266----
ValValineME474267----


Analysis: None (Direct infusion) UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
C0CarnitineME474373----
C10CAR 10:0ME474374----
C10:1CAR 10:1ME474375----
C10:2CAR 10:2ME474376----
C12CAR 12:0ME474377----
C12:1Dodecenoic acidME474379----
C12-DCCAR DC12:0ME474378----
C14CAR 14:0ME474380----
C14:1CAR 14:1ME474381----
C14:1-OHHydroxytetradecenoic acidME474382----
C14:2Tetradecadienoic acidME474383----
C14:2-OHCAR 14:2;OHME474384----
C16CAR 16:0ME474385----
C16:1CAR 16:1ME474387----
C16:1-OHCAR 16:1;OHME474388----
C16:2Hexadecadienoic acidME474389----
C16:2-OHHydroxyhexadecadienoic acidME474390----
C16-OHCAR 16:0;OHME474386----
C18CAR 18:0ME474391----
C18:1CAR 18:1ME474392----
C18:1-OHHydroxyoctadecenoic acidME474393----
C18:2CAR 18:2ME474394----
C2CAR 2:0ME474395----
C3CAR 3:0ME474396----
C3:1CAR 3:1ME474398----
C3-DC (C4-OH)CAR DC3:0ME474400----
C3-OHCAR 3:0;OHME474397----
C4CAR 4:0ME474399----
C4:1CAR 4:1ME474401----
C5CAR 5:0ME474402----
C5:1CAR 5:1ME474405----
C5:1-DCCAR DC5:1ME474406----
C5-DC (C6-OH)CAR DC5:0ME474408----
C5-M-DCCAR DC5:0;3MeME474403----
C5-OH (C3-DC-M)CAR 5:0;OHME474404----
C6:1Hexenoic acidME474409----
C6 (C4:1-DC)CAR 6:0ME474407----
C7-DCCAR DC7:0ME474410----
C8CAR 8:0ME474411----
C9CAR 9:0ME474412----
H1HexoseME474413----
lysoPC a C14:0LPC 14:0ME474268----
lysoPC a C16:0LPC 16:0ME474269----
lysoPC a C16:1LPC 16:1ME474270----
lysoPC a C17:0LPC 17:0ME474271----
lysoPC a C18:0LPC 18:0ME474272----
lysoPC a C18:1LPC 18:1ME474273----
lysoPC a C18:2LPC 18:2ME474274----
lysoPC a C20:3LPC 20:3ME474275----
lysoPC a C20:4LPC 20:4ME474276----
lysoPC a C24:0LPC 24:0ME474277----
lysoPC a C26:0LPC 26:0ME474278----
lysoPC a C26:1LPC 26:1ME474279----
lysoPC a C28:0LPC 28:0ME474280----
lysoPC a C28:1LPC 28:1ME474281----
PC aa C24:0PC 24:0ME474282----
PC aa C26:0PC 26:0ME474283----
PC aa C28:1PC 28:1ME474284----
PC aa C30:0PC 30:0ME474285----
PC aa C30:2PC 30:2ME474286----
PC aa C32:0PC 32:0ME474287----
PC aa C32:1PC 32:1ME474288----
PC aa C32:2PC 32:2ME474289----
PC aa C32:3PC 32:3ME474290----
PC aa C34:1PC 34:1ME474291----
PC aa C34:2PC 34:2ME474292----
PC aa C34:3PC 34:3ME474293----
PC aa C34:4PC 34:4ME474294----
PC aa C36:0PC 36:0ME474295----
PC aa C36:1PC 36:1ME474296----
PC aa C36:2PC 36:2ME474297----
PC aa C36:3PC 36:3ME474298----
PC aa C36:4PC 36:4ME474299----
PC aa C36:5PC 36:5ME474300----
PC aa C36:6PC 36:6ME474301----
PC aa C38:0PC 38:0ME474302----
PC aa C38:1PC 38:1ME474303----
PC aa C38:3PC 38:3ME474304----
PC aa C38:4PC 38:4ME474305----
PC aa C38:5PC 38:5ME474306----
PC aa C38:6PC 38:6ME474307----
PC aa C40:1PC 40:1ME474308----
PC aa C40:2PC 40:2ME474309----
PC aa C40:3PC 40:3ME474310----
PC aa C40:4PC 40:4ME474311----
PC aa C40:5PC 40:5ME474312----
PC aa C40:6PC 40:6ME474313----
PC aa C42:0PC 42:0ME474314----
PC aa C42:1PC 42:1ME474315----
PC aa C42:2PC 42:2ME474316----
PC aa C42:4PC 42:4ME474317----
PC aa C42:5PC 42:5ME474318----
PC aa C42:6PC 42:6ME474319----
PC ae C30:0PC O-30:0ME474320----
PC ae C30:1PC P-30:0 or PC O-30:1ME474321----
PC ae C30:2PC P-30:1 or PC O-30:2ME474322----
PC ae C32:1PC P-32:0 or PC O-32:1ME474323----
PC ae C32:2PC P-32:1 or PC O-32:2ME474324----
PC ae C34:0PC O-34:0ME474325----
PC ae C34:1PC P-34:0 or PC O-34:1ME474326----
PC ae C34:2PC P-34:1 or PC O-34:2ME474327----
PC ae C34:3PC P-34:2 or PC O-34:3ME474328----
PC ae C36:0PC O-36:0ME474329----
PC ae C36:1-ME474330----
PC ae C36:2PC P-36:1 or PC O-36:2ME474331----
PC ae C36:3PC P-36:2 or PC O-36:3ME474332----
PC ae C36:4PC P-36:3 or PC O-36:4ME474333----
PC ae C36:5PC P-36:4 or PC O-36:5ME474334----
PC ae C38:0PC O-38:0ME474335----
PC ae C38:1PC P-38:0 or PC O-38:1ME474336----
PC ae C38:2PC P-38:1 or PC O-38:2ME474337----
PC ae C38:3PC P-38:2 or PC O-38:3ME474338----
PC ae C38:4PC P-38:3 or PC O-38:4ME474339----
PC ae C38:5PC P-38:4 or PC O-38:5ME474340----
PC ae C38:6PC P-38:5 or PC O-38:6ME474341----
PC ae C40:1PC P-40:0 or PC O-40:1ME474342----
PC ae C40:2-ME474343----
PC ae C40:3PC P-40:2 or PC O-40:3ME474344----
PC ae C40:4PC P-40:3 or PC O-40:4ME474345----
PC ae C40:5PC P-40:4 or PC O-40:5ME474346----
PC ae C40:6PC P-40:5 or PC O-40:6ME474347----
PC ae C42:0PC O-42:0ME474348----
PC ae C42:1PC P-42:0 or PC O-42:1ME474349----
PC ae C42:2PC P-42:1 or PC O-42:2ME474350----
PC ae C42:3PC P-42:2 or PC O-42:3ME474351----
PC ae C42:4PC P-42:3 or PC O-42:4ME474352----
PC ae C42:5PC P-42:4 or PC O-42:5ME474353----
PC ae C44:3PC O-44:3ME474354----
PC ae C44:4-ME474355----
PC ae C44:5PC P-44:4 or PC O-44:5ME474356----
PC ae C44:6PC P-44:5 or PC O-44:6ME474357----
SM C16:0SM 18:1;O2/16:0ME474363----
SM C16:1SM 18:1;O2/16:1ME474364----
SM C18:0SM 18:1;O2/18:0ME474365----
SM C18:1SM 18:1;O2/18:1ME474366----
SM C20:2SM 18:1;O2/20:2ME474367----
SM C22:3SM 18:1;O2/22:3ME474368----
SM C24:0SM 18:1;O2/24:0ME474369----
SM C24:1SM 18:1;O2/24:1ME474370----
SM C26:0SM 18:1;O2/26:0ME474371----
SM C26:1SM 18:1;O2/26:1ME474372----
SM (OH) C14:1SM 18:1;O2/14:1;OME474358----
SM (OH) C16:1SM 18:1;O2/16:1;OME474359----
SM (OH) C22:1SM 18:1;O2/22:1;OME474360----
SM (OH) C22:2SM 18:1;O2/22:2;OME474361----
SM (OH) C24:1SM 18:1;O2/24:1;OME474362----


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