Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0005585)
Spectrum Details
MiMe ID: | MMDBc0005585 |
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Compound Name: | 11-Hydroxydehydrobotrydienol |
Derivative IUPAC Name: | [(1S)-6-(hydroxymethyl)-1,3,3-trimethyl-7-{[(trimethylsilyl)oxy]methyl}-2,3-dihydro-1H-inden-1-yl]methanol |
Derivative SMILES: | CC1(C)C[C@](C)(CO)C2=C1C=CC(CO)=C2CO[Si](C)(C)C |
Derivative InChIKey: | InChIKey=JTPOYCRQZDWXBO-GOSISDBHSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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 |
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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_1_3 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 765 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References