Predicted GC-MS Spectrum - 4-[(E)-2-(7-Heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid GC-MS (Non-derivatized) - 70eV, Positive (HMDB0254074)
Spectrum Details
HMDB ID: | HMDB0254074 |
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Compound Name: | 4-[(E)-2-(7-Heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | Not Available |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - 4-[(E)-2-(7-Heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid GC-MS (Non-derivatized) - 70eV, Positive |
Splash Key: | splash10-0ap3-8006900000-c30f3b69c8d983426c4d |
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: | C28H36O5S |
Molecular Weight (Monoisotopic Mass): | 484.2283 Da |
Notes
Predicted by CFM-ID 2.0, energy0
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 | 4.66 KB |
References
Not Available