Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0006688)
Spectrum Details
| MiMe ID: | MMDBc0006688 |
|---|---|
| Compound Name: | Aspulvinone H |
| Derivative IUPAC Name: | (5Z)-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methylidene}-4-[(trimethylsilyl)oxy]-2,5-dihydrofuran-2-one |
| Derivative SMILES: | CC(C)=CCC1=CC(/C=C2\OC(=O)C(C3=CC=C(O)C(CC=C(C)C)=C3)=C2O[Si](C)(C)C)=CC=C1O |
| Derivative InChIKey: | InChIKey=WXPSDFGJNVWPIQ-PKAZHMFMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - 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: | C27H28O5 |
| Molecular Weight (Monoisotopic Mass): | 432.1937 Da |
| Derivative Type: | TMS_1_1 |
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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References