Spectrum Details
T3DB ID:T3D4501
Compound Name:Ethametsulfuron methyl
Derivative IUPAC Name:methyl 2-[({[1-(tert-butyldimethylsilyl)-6-ethoxy-4-(methylimino)-1,4-dihydro-1,3,5-triazin-2-yl]-C-hydroxycarbonimidoyl}amino)sulfonyl]benzoate
Derivative SMILES:CCOC1=NC(=NC)N=C(N=C(O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)N1[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=AFGIFRXDLNSURE-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 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:C15H18N6O6S
Molecular Weight (Monoisotopic Mass):410.1009 Da
Derivative Type:TBDMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCOC1=NC(=NC)N=C(N=C(O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)N1[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file754 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available