Spectrum Details
T3DB ID:T3D4596
Compound Name:Dodecanoic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (1 TMS)
Splash Key:splash10-014i-2910000000-d52410168e784872a5a6 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:1654.1
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:1 TMS
Derivative Formula:C15H32O2Si
Derivative Molecular Weight:272.499
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file2.11 KB
Generated list of m/z values for the spectrum (TXT)Download file648 Bytes
mzML formatted file (MZML)Download file5.24 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) [fa76be50-bc05-4660-b961-046da5f5580a ]