Predicted GC-MS Spectrum - Encaleret GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0251787)
Spectrum Details
| HMDB ID: | HMDB0251787 |
|---|---|
| Compound Name: | Encaleret |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1=CC(C2=CC=CC=C2C(C)OCC(CNC(C)(C)CC2=CC=C(Cl)C(F)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1C(=O)O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Encaleret 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: | C29H33ClFNO4 |
| Molecular Weight (Monoisotopic Mass): | 513.2082 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC(C2=CC=CC=C2C(C)OCC(CNC(C)(C)CC2=CC=C(Cl)C(F)=C2)O[Si](C)(C)C(C)(C)C)=CC=C1C(=O)O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 750 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available