Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive (CDB005821)
Spectrum Details
CDB ID: | CDB005821 |
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Compound Name: | Cannabichromanone |
Derivative IUPAC Name: | 2,2-dimethyl-7-pentyl-5-[(trimethylsilyl)oxy]-3-{3-[(trimethylsilyl)oxy]but-2-en-1-yl}-3,4-dihydro-2H-1-benzopyran-4-one |
Derivative SMILES: | CCCCCC1=CC2=C(C(=O)C(CC=C(C)O[Si](C)(C)C)C(C)(C)O2)C(O[Si](C)(C)C)=C1 |
Derivative InChIKey: | InChIKey=SSYPTVHEFXKEEH-UHFFFAOYNA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 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: | C26H44O4Si2 |
Molecular Weight (Monoisotopic Mass): | 476.278 Da |
Derivative Type: | 2 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC1=CC2=C(C(=O)C(CC=C(C)O[Si](C)(C)C)C(C)(C)O2)C(O[Si](C)(C)C)=C1)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 751 Bytes |
mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available