Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive (CHEM019132)
Spectrum Details
| chemdb ID: | CHEM019132 |
|---|---|
| Compound Name: | Bosentan |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_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: | C27H29N5O6S |
| Molecular Weight (Monoisotopic Mass): | 551.1839 Da |
| Molecular Weight (Avergae Mass): | 551.614 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC=CC=C1OC1=C(OCCO[Si](C)(C)C(C)(C)C)N=C(C2=NC=CC=N2)N=C1NS(=O)(=O)C1=CC=C(C(C)(C)C)C=C1)
Documentation
| Document Description | Download |
|---|---|
| List of m/z values for the spectrum | Download file |
| mzML formatted file | Download file |
References
Not Available