Spectrum Details
chemdb ID:CHEM010858
Compound Name:Alanine, N-[5-(acetylamino)-4-[2-(2-chloro-6-c yano-4-nitrophenyl)diazenyl]-2-m ethoxyphenyl]-N-(2-methoxy-2-oxoethyl)-, methyl ester
Spectrum Type:GC-MS Spectrum - GC-MS (2 TMS)
Splash Key:splash10-0udl-4790000000-f8d777863969fe9feeee 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:1524.61
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:2 TMS
Derivative Formula:C10H21N3OSi2
Derivative Molecular Weight:255.465
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) [66efa8ab-99cb-4ed0-a96a-567e3f8207c2 ]