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Spectrum Details
Compound Name:1,25-Dihydroxyvitamin D3-26,23-lactone
Derivative IUPAC Name:Not Available
Derivative SMILES:C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@H]2C[C@@](C)(O[Si](C)(C)C(C)(C)C)C(=O)O2)C[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 1,25-Dihydroxyvitamin D3-26,23-lactone GC-MS (TBDMS_2_3) - 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
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:C27H40O5
Molecular Weight (Monoisotopic Mass):444.2876 Da
Derivative Type:TBDMS_2_3
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)C[C@H]2C[C@@](C)(O[Si](C)(C)C(C)(C)C)C(=O)O2)C[C@@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file756 Bytes
mzML formatted file (MZML)Download file4.66 KB
Not Available