Spectrum Details
CDB ID:CDB006225
Compound Name:Triadimenol
Derivative IUPAC Name:1-[1-(4-chlorophenoxy)-3,3-dimethyl-2-[(trimethylsilyl)oxy]butyl]-1H-1,2,4-triazole
Derivative SMILES:CC(C)(C)C(O[Si](C)(C)C)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1
Derivative InChIKey:InChIKey=HCQNHSXWRKDDEU-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_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:C14H18ClN3O2
Molecular Weight (Monoisotopic Mass):295.1088 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)C(O[Si](C)(C)C)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file746 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available