Spectrum Details
CDB ID:CDB006185
Compound Name:Tebuconazole
Derivative IUPAC Name:1-{2-[(tert-butyldimethylsilyl)oxy]-2-[2-(4-chlorophenyl)ethyl]-3,3-dimethylbutyl}-1H-1,2,4-triazole
Derivative SMILES:CC(C)(C)C(CCC1=CC=C(Cl)C=C1)(CN1C=NC=N1)O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=AYJCIRKCMKMOIT-UHFFFAOYNA-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:C16H22ClN3O
Molecular Weight (Monoisotopic Mass):307.1451 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)C(CCC1=CC=C(Cl)C=C1)(CN1C=NC=N1)O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available