Spectrum Details
T3DB ID:T3D3694
Compound Name:Elymoclavine
Derivative IUPAC Name:4-{[(tert-butyldimethylsilyl)oxy]methyl}-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),3,9,12(16),13-pentaene
Derivative SMILES:CN1CC(CO[Si](C)(C)C(C)(C)C)=CC2C3=CC=CC4=C3C(=C[NH]4)CC21
Derivative InChIKey:InChIKey=DHQOSOGECKAKFW-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_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:C16H18N2O
Molecular Weight (Monoisotopic Mass):254.1419 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CN1CC(CO[Si](C)(C)C(C)(C)C)=CC2C3=CC=CC4=C3C(=C[NH]4)CC21)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available