Spectrum Details
chemdb ID:CHEM016214
Compound Name:Hexabromocyclododecane (HBCDD), including all major diastereomers
Spectrum Type:GC-MS Spectrum - GC-MS (5 TMS)
Splash Key:splash10-0udl-1970000000-1bbf66b2b2958384aaa3 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:1824.3
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:5 TMS
Derivative Formula:C21H52O6Si5
Derivative Molecular Weight:541.062
Notes
Documentation
Document DescriptionDownload
Golm MSL RecordDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload file
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) [b91874ab-f3e8-445b-a6d3-67009211396f ]