Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0005946)
Spectrum Details
| MiMe ID: | MMDBc0005946 |
|---|---|
| Compound Name: | Chaetopyranin |
| Derivative IUPAC Name: | 2-[(1E)-3-hydroxybut-1-en-1-yl]-7-(3-methylbut-2-en-1-yl)-6-[(trimethylsilyl)oxy]-3,4-dihydro-2H-1-benzopyran-5-carbaldehyde |
| Derivative SMILES: | CC(C)=CCC1=CC2=C(CCC(/C=C/C(C)O)O2)C(C=O)=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=YNBXWCRAJYUFIW-CSKARUKUNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_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 |
|---|---|
| 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: | C19H24O4 |
| Molecular Weight (Monoisotopic Mass): | 316.1675 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References