Predicted GC-MS Spectrum - Benzenemethanol, 4-(1-(3,4-bis(difluoromethoxy)phenyl)-2-(3-methyl-1-oxido-4-pyridinyl)ethyl)-alpha,alpha-bis(trifluoromethyl)- GC-MS (TMS_1_1) - 70eV, Positive (HMDB0253861)
Spectrum Details
| HMDB ID: | HMDB0253861 |
|---|---|
| Compound Name: | Benzenemethanol, 4-(1-(3,4-bis(difluoromethoxy)phenyl)-2-(3-methyl-1-oxido-4-pyridinyl)ethyl)-alpha,alpha-bis(trifluoromethyl)- |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1=C[N+]([O-])=CC=C1CC(C1=CC=C(C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)C=C1)C1=CC=C(OC(F)F)C(OC(F)F)=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Benzenemethanol, 4-(1-(3,4-bis(difluoromethoxy)phenyl)-2-(3-methyl-1-oxido-4-pyridinyl)ethyl)-alpha,alpha-bis(trifluoromethyl)- 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: | C25H19F10NO4 |
| Molecular Weight (Monoisotopic Mass): | 587.1154 Da |
| Derivative Type: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=C[N+]([O-])=CC=C1CC(C1=CC=C(C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)C=C1)C1=CC=C(OC(F)F)C(OC(F)F)=C1)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available