Spectrum Details
MiMe ID:MMDBc0006429
Compound Name:Chrysotriazole B
Derivative IUPAC Name:4-[(1-{2-methoxy-4-[(trimethylsilyl)oxy]phenyl}-1H-1,2,4-triazol-5-yl)methyl]phenol
Derivative SMILES:COC1=CC(O[Si](C)(C)C)=CC=C1N1N=CN=C1CC1=CC=C(O)C=C1
Derivative InChIKey:InChIKey=XBLLRYCRTYSVEH-UHFFFAOYSA-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:C16H15N3O3
Molecular Weight (Monoisotopic Mass):297.1113 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file778 Bytes
mzML formatted file (MZML)Download file4.63 KB
References