Spectrum Details
T3DB ID:T3D3776
Compound Name:Sporidesmin
Derivative IUPAC Name:6-chloro-3-hydroxy-7,8-dimethoxy-10,14,18-trimethyl-2-[(trimethylsilyl)oxy]-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.0¹,¹².0³,¹¹.0⁴,⁹]octadeca-4(9),5,7-triene-13,17-dione
Derivative SMILES:COC1=C(OC)C2=C(C=C1Cl)C1(O)C(N2C)N2C(=O)C3(C)SSC2(C(=O)N3C)C1O[Si](C)(C)C
Derivative InChIKey:InChIKey=YTYSWIHIWNLOPS-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_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:C18H20ClN3O6S2
Molecular Weight (Monoisotopic Mass):473.0482 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=C(OC)C2=C(C=C1Cl)C1(O)C(N2C)N2C(=O)C3(C)SSC2(C(=O)N3C)C1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file757 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available