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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
Acetyl CoA 13C2-HILICAcetyl-CoAME528208----
Acetyl CoA-HILICAcetyl-CoAME528241----
Acetyl-L-Carnitine-HILICCAR 2:0ME528227----
Aconitic Acid-HILICcis-Aconitic acidME528242----
Adenine-HILICAdenineME528243----
Adenosine-HILICAdenosineME528244----
Adenosine Monophosphate 15N5-HILICAMPME528214----
Adenosyl Homocysteine-HILICS-AdenosylhomocysteineME528245----
Adenosyl Methionine-HILICS-AdenosylmethionineME528246----
ADP-HILICADPME528247----
Aminobutyric Acid-HILICAminobutyric acidME528249----
Amino Propanesulfonic Acid-HILICCerebrilME528248----
AMP-HILICAMPME528250----
Argininosuccinic Acid-HILICArgininosuccinic acidME528228----
ATP-HILICATPME528251----
Betaine-HILICBetaineME528252----
cAMP-HILIC3',5' cyclic AMPME528253----
Carnitine-HILICCarnitineME528229----
cGMP-HILIC3',5' cyclic GMPME528254----
Chitobiose-HILICN,N'-DiacetylchitobioseME528255----
Choline-HILICCholineME528256----
Citric Acid-HILICCitric acidME528257----
Citrulline-HILICCitrullineME528230----
Cyclic diGMP-HILIC-ME528258----
Cystathionine-HILICCystathionineME528259----
Cystine-HILICCystineME528260----
Cytidine-HILICCytidineME528261----
DHAP-HILICDihydroxyacetone phosphateME528262----
DHPS-HILIC(2R)-3-sulfopropanediolME528263----
DL-Alanine D3-HILIC-ME528220----
DL-Histidine 15N-HILICHistidineME528221----
DL-Proline D7-HILIC-ME528223----
DL-Valine D8-HILIC-ME528224----
DMSP-HILICS,S-Dimethyl-beta-propiothetinME528264----
Ectoine-HILICEctoineME528265----
FAD-HILICFADME528266----
Fructose-6-Phosphate-HILICFructose 6-phosphateME528267----
Fumaric Acid-HILICFumaric acidME528268----
Gluconic Acid-HILICGluconic acidME528269----
Glucose-6-Phosphate-HILICGlucose 6-phosphateME528270----
Glucosylglycerol-HILICGlucosylglycerolME528271----
Glycerol-3-Phosphate-HILICsn-Glycero-3-phosphateME528272----
Glycerophosphocholine-HILICsn-Glycero-3-phosphocholineME528231----
GMP-HILICGMPME528273----
Guanine-HILICGuanineME528274----
Guanosine-HILICGuanosineME528275----
Guanosine Monophosphate 15N5-HILICGMPME528215----
Homoserine-HILICHomoserineME528232----
Hydroxybutyryl CoA-HILICHydroxybutyryl-CoAME528276----
Hydroxyectoine-HILIC5-HydroxyectoineME528277----
Hypotaurine-HILICHypotaurineME528278----
Isethionic Acid 13C2-HILIC2-HydroxyethanesulfonateME528211----
Isethionic Acid-HILIC2-HydroxyethanesulfonateME528279----
Isocitric Acid-HILICIsocitric acidME528280----
Ketoglutaric Acid-HILICOxoglutaric acidME528281----
L-Cysteic Acid D3-HILIC-ME528217----
L-Isoleucine 15N-HILICIsoleucineME528222----
L-Methionine D3-HILIC-ME528216----
Malic Acid-HILICMalic acidME528282----
Methionine Sulfoxide-HILICMethionine sulfoxideME528233----
Methyl Malonyl CoA-HILICMethylmalonyl-CoAME528283----
Methylphosphonic Acid-HILIC-ME528284----
N-Acetyl-Lysine-HILICN(2)-AcetyllysineME528234----
N-Acetyltaurine-HILICN-AcetyltaurineME528285----
NADH-HILICNADHME528288----
NAD-HILICNAD+ME528287----
NADP-HILICNADP+ME528289----
N-Methyltaurine-HILICN-MethyltaurineME528286----
Ornithine-HILICOrnithineME528235----
Orotic Acid-HILICOrotic acidME528290----
Oxalic Acid-HILICOxalic acidME528291----
PEP-HILICPhosphoenolpyruvic acidME528292----
Phosphoglyceric Acid-HILICPhosphoglyceric acidME528236----
Picolinic Acid-HILICPicolinic acidME528293----
Proline Betaine-HILICProline betaineME528238----
Propionyl CoA-HILICPropionyl-CoAME528294----
Propionyl-L-carnitine-HILICCAR 3:0ME528237----
Riboflavin-dioxopyrimidine 13C4 15N2-ME528226----
Ribose-5-Phosphate-HILICRibose 5-phosphateME528295----
Sarcosine-HILICSarcosineME528296----
Shikimic Acid-HILICShikimic acidME528297----
Succinic Acid D4-HILIC-ME528218----
Succinic Acid-HILICSuccinic acidME528298----
Succinyl CoA-HILICSuccinyl-CoAME528299----
Sucrose 13C-HILICSucroseME528209----
Sucrose-HILICSucroseME528239----
Sulfoacetic Acid 13C2-HILICSulfoacetic acidME528212----
Sulfoacetic Acid-HILICSulfoacetic acidME528300----
Sulfolactic Acid 13C3-HILIC3-Sulfolactic acidME528213----
Sulfolactic Acid-HILIC3-Sulfolactic acidME528301----
Taurine D4-HILIC-ME528219----
Taurine-HILICTaurineME528302----
Thiamine Hydrochloride 13C3ThiamineME528225----
Thymidine-HILICThymidineME528303----
Thymine-HILICThymineME528304----
trans-Hydroxylproline-HILIC-ME528305----
Trehalose 13C-HILICTrehaloseME528210----
Trehalose-HILICTrehaloseME528306----
Trigonelline-HILICTrigonellineME528240----
UDP-Glucosamine-HILICUDP-glucosamineME528307----
UDP-Glucose-HILICUDP-glucoseME528308----
Uridine-HILICUridineME528309----


Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
Acetyl-L-Carnitine-HILICCAR 2:0ME528314----
Argininosuccinic Acid-HILICArgininosuccinic acidME528315----
Beta-Glutamic Acid-HILICIsoglutamic acidME528310----
Carnitine-HILICCarnitineME528316----
Citrulline-HILICCitrullineME528317----
DMS-Acetate-HILIC-ME528311----
Glycerophosphocholine-HILICsn-Glycero-3-phosphocholineME528318----
Gonyol-HILICGonyolME528312----
Homarine-HILICHomarineME528313----
Homoserine-HILICHomoserineME528319----
Methionine Sulfoxide-HILICMethionine sulfoxideME528320----
N-Acetyl-Lysine-HILICN(2)-AcetyllysineME528321----
Ornithine-HILICOrnithineME528322----
Proline Betaine-HILICProline betaineME528324----
Propionyl-L-carnitine-HILICCAR 3:0ME528323----
Trigonelline-HILICTrigonellineME528325----


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
Phosphoglyceric Acid-HILICPhosphoglyceric acidME528327----
Sucrose-HILICSucroseME528326----


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
Glutathione Disulfide-RPOxidized glutathioneME528330----
Indole-3-Carboxylic Acid-RPIndole-3-carboxylic acidME528328----
Methylthioadenosine-RP5'-MethylthioadenosineME528331----
Tryptophol-RPTryptophanolME528329----


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