Predicted GC-MS Spectrum - GC-MS (TBDMS_1_2) - 70eV, Positive (T3D4501)
Spectrum Details
T3DB ID: | T3D4501 |
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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 |
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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 Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available