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Spectrum Details
HMDB ID:HMDB0000380
Compound Name:2-Hydroxyestradiol-3-methyl ether
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 2-Hydroxyestradiol-3-methyl ether GC-MS (TBDMS_1_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
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:C19H26O3
Molecular Weight (Monoisotopic Mass):302.1882 Da
Derivative Type:TBDMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC2=C(C=C1O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file743 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available