Hmdb loader
Spectrum Details
HMDB ID:HMDB0010342
Compound Name:25-Hydroxyvitamin D2-25-glucuronide
Derivative IUPAC Name:Not Available
Derivative SMILES:C=C1CCC(O[Si](C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 25-Hydroxyvitamin D2-25-glucuronide GC-MS (TMS_3_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
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:C34H52O8
Molecular Weight (Monoisotopic Mass):588.3662 Da
Derivative Type:TMS_3_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C1CCC(O[Si](C)(C)C)C/C1=C/C=C1\CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available