Predicted GC-MS Spectrum - (1R,2S,5S,6R,9S,10S)-3,6,17,20-Tetrahydroxy-6-(2-hydroxyacetyl)-1,5-dimethylpentacyclo[11.8.0.02,10.05,9.016,21]henicosa-13,16,18,20-tetraen-15-one GC-MS (TMS_2_15) - 70eV, Positive (HMDB0260069)
Spectrum Details
HMDB ID: | HMDB0260069 |
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Compound Name: | (1R,2S,5S,6R,9S,10S)-3,6,17,20-Tetrahydroxy-6-(2-hydroxyacetyl)-1,5-dimethylpentacyclo[11.8.0.02,10.05,9.016,21]henicosa-13,16,18,20-tetraen-15-one |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | CC12C(=CC(=O)C3=C(O)C=CC(O)=C31)CCC1C2C(O)CC2(C)C1CCC2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - (1R,2S,5S,6R,9S,10S)-3,6,17,20-Tetrahydroxy-6-(2-hydroxyacetyl)-1,5-dimethylpentacyclo[11.8.0.02,10.05,9.016,21]henicosa-13,16,18,20-tetraen-15-one GC-MS (TMS_2_15) - 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: | C25H30O7 |
Molecular Weight (Monoisotopic Mass): | 442.1992 Da |
Derivative Type: | TMS_2_15 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC12C(=CC(=O)C3=C(O)C=CC(O)=C31)CCC1C2C(O)CC2(C)C1CCC2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available