Spectrum Details
T3DB ID:T3D3092
Compound Name:Grayanotoxin III
Derivative IUPAC Name:5,5,9,14-tetramethyl-9,14-bis[(trimethylsilyl)oxy]tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecane-3,4,6,16-tetrol
Derivative SMILES:CC1(O[Si](C)(C)C)CC23CC(O)C4(O)C(CC(O)C4(C)C)C(C)(O[Si](C)(C)C)C2CCC1C3O
Derivative InChIKey:InChIKey=NCJVVQTZYRDYLO-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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:C20H34O6
Molecular Weight (Monoisotopic Mass):370.2355 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1(O[Si](C)(C)C)CC23CC(O)C4(O)C(CC(O)C4(C)C)C(C)(O[Si](C)(C)C)C2CCC1C3O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available