Spectrum Details
T3DB ID:T3D3768
Compound Name:Luteoskyrin
Derivative IUPAC Name:5,8,10,14,20,23,25-heptahydroxy-6,21-dimethyl-28-[(trimethylsilyl)oxy]octacyclo[14.11.1.0²,¹¹.0²,¹⁵.0⁴,⁹.0¹³,¹⁷.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone
Derivative SMILES:CC1=CC(O)=C2C(O)=C3C(=O)C4C(O)C5C6C(O[Si](C)(C)C)C(C(=O)C7=C(O)C8=C(O)C=C(C)C(O)=C8C(=O)C746)C35C(=O)C2=C1O
Derivative InChIKey:InChIKey=VHTSASUJTAAIPX-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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:C30H22O12
Molecular Weight (Monoisotopic Mass):574.1111 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC(O)=C2C(O)=C3C(=O)C4C(O)C5C6C(O[Si](C)(C)C)C(C(=O)C7=C(O)C8=C(O)C=C(C)C(O)=C8C(=O)C746)C35C(=O)C2=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file739 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available