Spectrum Details
T3DB ID:T3D0102
Compound Name:4,6-Dinitro-o-cresol
Derivative IUPAC Name:tert-butyldimethyl(2-methyl-4,6-dinitrophenoxy)silane
Derivative SMILES:CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=JXVJXTSIWGRMCX-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:C7H6N2O5
Molecular Weight (Monoisotopic Mass):198.0277 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file742 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available