Spectrum Details
T3DB ID:T3D3821
Compound Name:Daminozide
Derivative IUPAC Name:3-[N-(tert-butyldimethylsilyl)-N',N'-dimethylhydrazinecarbonyl]propanoic acid
Derivative SMILES:CN(C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=YNTCPFZXTUKQTE-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 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:C6H12N2O3
Molecular Weight (Monoisotopic Mass):160.0848 Da
Derivative Type:TBDMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN(C)N(C(=O)CCC(=O)O)[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available