Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 70eV, Positive (T3D4501)
Spectrum Details
| T3DB ID: | T3D4501 |
|---|---|
| Compound Name: | Ethametsulfuron methyl |
| Derivative IUPAC Name: | methyl 2-{[(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)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=CC=C2C(=O)OC)[NH]1 |
| Derivative InChIKey: | InChIKey=SFVWBFWKAFCLQA-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 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_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCOC1=NC(=NC)N=C(N=C(O)N([Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=CC=C2C(=O)OC)[NH]1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available