Spectrum Details
CDB ID:CDB006137
Compound Name:Choline
Derivative IUPAC Name:{2-[(tert-butyldimethylsilyl)oxy]ethyl}trimethylazanium
Derivative SMILES:CC(C)(C)[Si](C)(C)OCC[N+](C)(C)C
Derivative InChIKey:InChIKey=AVKUGMVRAVCUTE-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C5H14NO
Molecular Weight (Monoisotopic Mass):104.1075 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OCC[N+](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file526 Bytes
mzML formatted file (MZML)Download file4.48 KB
References
Not Available