Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0031583)
Spectrum Details
MiMe ID: | MMDBc0031583 |
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Compound Name: | 3-Octaprenyl-4-hydroxybenzoate |
Derivative IUPAC Name: | 3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]-4-[(trimethylsilyl)oxy]benzoic acid |
Derivative SMILES: | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(C(=O)O)=CC=C1O[Si](C)(C)C |
Derivative InChIKey: | InChIKey=WKJBJUKBUWBVNS-OIVVIXMESA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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: | C47H70O3 |
Molecular Weight (Monoisotopic Mass): | 682.5325 Da |
Derivative Type: | TMS_1_1 |
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 | 768 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References