Spectrum Details
T3DB ID:T3D0803
Compound Name:2,4,5-Trichlorophenoxyacetic acid
Derivative IUPAC Name:trimethylsilyl 2-(2,4,5-trichlorophenoxy)acetate
Derivative SMILES:C[Si](C)(C)OC(=O)COC1=CC(Cl)=C(Cl)C=C1Cl
Derivative InChIKey:InChIKey=DXJQCDVGISANSY-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:C8H5Cl3O3
Molecular Weight (Monoisotopic Mass):253.9304 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)COC1=CC(Cl)=C(Cl)C=C1Cl)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file743 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available