Hmdb loader
Spectrum Details
HMDB ID:HMDB0000691
Compound Name:Malonic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - Malonic acid GC-MS (2 TMS)
Splash Key:splash10-001i-4930000000-e7dbed4919870db8dabf View in MoNA
Spectrum View
Experimental Conditions
Instrument Type:GC-MS
Chromatography Type:GC
Retention Index Type:based on 9 n-alkanes (C10–C36)
Retention Index:1197.16
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:2 TMS
Derivative Formula:C9H20O4Si2
Derivative Molecular Weight:248.424
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file1.31 KB
Generated list of m/z values for the spectrum (TXT)Download file348 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
  1. Hummel J, Strehmel N, Selbig J, Walther D, Kopka J: Decision tree supported substructure prediction of metabolites from GC-MS profiles. Metabolomics. 2010 Jun;6(2):322-333. Epub 2010 Feb 16. [PubMed: 20526350 ]
  2. Golm Metabolome Database (GMD) [71087795-0d05-4f53-9895-7fda539a7b03 ]