Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0033069)
Spectrum Details
MiMe ID: | MMDBc0033069 |
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Compound Name: | heptaprenyl diphosphate |
Derivative IUPAC Name: | ({bis[(trimethylsilyl)oxy]phosphoryl}oxy)[(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl)oxy]phosphinic acid |
Derivative SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
Derivative InChIKey: | InChIKey=LJKJJYFHHWOAOV-UHFFFAOYSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C35H60O7P2 |
Molecular Weight (Monoisotopic Mass): | 654.3814 Da |
Derivative Type: | TMS_2_2 |
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 | 774 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References