Spectrum Details
chemdb ID:CHEM041958
Compound Name:3-cyano-L-alanine
Spectrum Type:GC-MS Spectrum - GC-MS (2 TMS)
Splash Key:splash10-0006-2910000000-cdae81bdd716faf914cb 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:1371.75
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:2 TMS
Derivative Formula:C10H22N2O2Si2
Derivative Molecular Weight:258.465
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) [6f2e852b-153f-42ae-b3be-77899515bfc5 ]