Spectrum Details
T3DB ID:T3D0806
Compound Name:Methylchlorophenoxypropionic acid
Derivative IUPAC Name:trimethylsilyl 2-(4-chloro-2-methylphenoxy)propanoate
Derivative SMILES:CC1=CC(Cl)=CC=C1OC(C)C(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=VBYNSEKUVOESSR-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:C10H11ClO3
Molecular Weight (Monoisotopic Mass):214.0397 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC(Cl)=CC=C1OC(C)C(=O)O[Si](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