Spectrum Details
MiMe ID:MMDBc0030377
Compound Name:Phosphonoacetate
Derivative IUPAC Name:Not Available
Derivative SMILES:Not Available
Derivative InChIKey:Not Available
Spectrum Type:GC-MS Spectrum - GC-MS (3 TMS)
Splash Key:splash10-0w5l-2974000000-382a946b6e8fb2405c6e 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:1522.99
Column Type:5%-phenyl-95%-dimethylpolysiloxane capillary column
Derivative Type:3 TMS
Derivative Formula:C11H29O5PSi3
Derivative Molecular Weight:356.575
Notes
Documentation
Document DescriptionDownloadFile Size
Golm MSL Record (TXT)Download file5.1 KB
Generated list of m/z values for the spectrum (TXT)Download file3.45 KB
mzML formatted file (MZML)Download file10.5 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) [3062a25d-641b-4edc-9b54-dfe65c4d89ee ]