Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0016166)
Spectrum Details
| MiMe ID: | MMDBc0016166 |
|---|---|
| Compound Name: | Huperxanthone B |
| Derivative IUPAC Name: | 3-(hydroxymethyl)-1,7-bis[(trimethylsilyl)oxy]-9H-xanthen-9-one |
| Derivative SMILES: | C[Si](C)(C)OC1=CC=C2OC3=CC(CO)=CC(O[Si](C)(C)C)=C3C(=O)C2=C1 |
| Derivative InChIKey: | InChIKey=ADMCLFNMLVZVTJ-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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: | C14H10O5 |
| Molecular Weight (Monoisotopic Mass): | 258.0528 Da |
| Derivative Type: | TMS_2_3 |
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 | 769 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References