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Analysis: C18 POSITIVE ION MODE/Acyl carnitines

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
ACETYL-DL-CARNITINECAR 2:0ME2224841---
DL-CARNITINECarnitineME222491288---
PROPIONYLCARNITINECAR 3:0ME222487107738---
O-OCTANOYLCARNITINECAR 8:0ME222489123701---
BUTYRYLCARNITINECAR 4:0ME222490213144---
AC1MIY4G-ME2224923082079---
ISOVALERYLCARNITINECAR 4:0;3MeME2224976426851---
MYRISTOYLCARNITINECAR 14:0ME2224986426854---
OLEOYLCARNITINECAR 18:1ME2224996441392---
DECANOYLCARNITINECAR 10:0ME22248510245190---
LAUROYLCARNITINECAR 12:0ME22248610427569---
L-PALMITOYLCARNITINECAR 16:0ME22248811953816---
ARACHIDONYL CARNITINECAR 20:4ME22249353477832---
LINOELAIDYL CARNITINECAR 18:2(9E,12E)ME22249453477834---
18:3 CARNITINECAR 18:3ME22249554500892---
CIS-4-DECENOYL CARNITINECAR 10:1ME22249657357170---
GLUTARYLCARNITINECAR DC5:0ME22250071317118---
3-HYDROXYLAUROYLCARNITINECAR 12:0;OHME22250171464535---
3-HYDROXYMYRISTOYLCARNITINECAR 14:0;OHME22250271464541---
3-HYDROXYPALMITOYLCARNITINECAR 16:0;3OHME22250371464553---
3-HYDROXYLINOLEYLCARNITINECAR 18:2;OHME22250471464556---
16:1 CARNITINECAR 16:1ME22250576040365---
8:1 CARNITINECAR 8:1ME22250677908888---
14:2 CARNITINECAR 14:2ME22250787087940---
12:1 CARNITINECAR 12:1ME22250887087953---
14:1 CARNITINECAR 14:1ME22250987088002---


Analysis: HILIC NEGATIVE ION MODE/Nucleotides, Sugars

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CITRIC ACIDCitric acidME222515311---
MALIC ACIDMalic acidME222518525---
GLYCERATE 3-PHOSPHATE3-Phosphoglyceric acidME222524724---
ADENOSINE TRIPHOSPHATEATPME2225195957---
ROBISON ESTERGlucose 6-phosphateME2225205958---
SUCROSESucroseME2225215988---
ADENOSINE 5'-DIPHOSPHATEADPME2225226022---
ADENOSINE 5'-MONOPHOSPHATEAMPME2225236083---
RIBOSE PHOSPHATERibose 5-phosphateME22252577982---
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME22252691493---
ACETOACETYL-COAAcetoacetyl-CoAME22252792153---
D-ERYTHROSE 4-PHOSPHATEErythrose 4-phosphateME222510122357---
SEDOHEPTULOSE 7-PHOSPHATESedoheptulose 7-phosphateME222513165007---
NADHNADHME222516439153---
BETA-NAD+NADME22251115938971---
COENZYME IINADPME22251215938972---
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)Fructose 1,6-bisphosphateME22251421125049---
FADFADME22251746906035---


Analysis: HILIC NEGATIVE ION MODE/Amino, Aminopropyl

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CREATINECreatineME222540586---
DL-SERINESerineME222552617---
3-GLYCEROPHOSPHATE3-Phosphoglyceric acidME222562754---
HYPOXANTHINEHypoxanthineME222563790---
L-GLUTATHIONE (OXIDIZED)GlutathioneME222566975---
PALMITIC ACIDPalmitic acidME222568985---
TAURINETaurineME2225281123---
XANTHINEXanthineME2225291188---
STEARIC ACIDStearic acidME2225375281---
D-GLUCOSEGlucoseME2225395793---
L-ALANINEAlanineME2225415950---
L-ASPARTIC ACIDAspartic acidME2225425960---
L-GLUTAMINEGlutamineME2225435961---
L-LYSINELysineME2225445962---
INOSINEInosineME2225456021---
URIDYLIC ACIDUMPME2225466030---
L-TYROSINETyrosineME2225476057---
5'-CYTIDYLIC ACIDCMPME2225486131---
URIDINE 5'-TRIPHOSPHATEUTPME2225496133---
L-METHIONINEMethionineME2225506137---
L-PHENYLALANINEPhenylalanineME2225516140---
L-ORNITHINEOrnithineME2225536262---
L-ASPARAGINEAsparagineME2225546267---
L-HISTIDINEHistidineME2225556274---
L-VALINEValineME2225566287---
L-THREONINEThreonineME2225576288---
L-TRYPTOPHANTryptophanME2225586305---
L-ISOLEUCINEIsoleucineME2225596306---
5'-GUANYLIC ACIDGMPME2225606804---
INOSINIC ACIDIMPME2225648582---
GUANOSINE DIPHOSPHATEGDPME2225658977---
L-CITRULLINECitrullineME2225679750---
UDP-GLUCURONIC ACIDUDP-glucuronic acidME22253217473---
L-GLUTAMIC ACIDGlutamic acidME22253333032---
O-PHOSPHO-L-SERINEPhosphoserineME22256168841---
GLUTATHIONEGlutathioneME222530124886---
L-PROLINEProlineME222531145742---
N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATEN-Acetyl-D-glucosamine 1-phosphateME222534440272---
OLEIC ACIDOleic acidME222535445639---
UDP-N-ACETYLGLUCOSAMINEUDP-N-acetylglucosamineME222536445675---
UDPGLUCOSEUDP-glucoseME22253853477679---


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