Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0017784)
Spectrum Details
| MiMe ID: | MMDBc0017784 |
|---|---|
| Compound Name: | 12-hydroxydehydrobotrydienol |
| Derivative IUPAC Name: | [(1R,3S)-1,3,5-trimethyl-1,3-di{[(trimethylsilyl)oxy]methyl}-2,3-dihydro-1H-inden-4-yl]methanol |
| Derivative SMILES: | CC1=CC=C2C(=C1CO)[C@@](C)(CO[Si](C)(C)C)C[C@@]2(C)CO[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=DSNUWUTXWAAKPB-LEWJYISDSA-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: | C15H22O3 |
| Molecular Weight (Monoisotopic Mass): | 250.1569 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 | 758 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References