Spectrum Details
FooDB ID:FDB018086
Compound Name:Musabalbisiane C
Derivative IUPAC Name:Not Available
Derivative SMILES:C/C=C(\C)C(=O)O[C@@H]1CC[C@@]2(CO)[C@](CO)([C@H](O)C[C@@H](CO[Si](C)(C)C)[C@]23C[C@@H](C2=COC=C2)O[C@H]3O)[C@@]1(CO)CC(=O)O
Derivative InChIKey:Not Available
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:C28H40O12
Molecular Weight (Monoisotopic Mass):568.252 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C/C=C(\C)C(=O)O[C@@H]1CC[C@@]2(CO)[C@](CO)([C@H](O)C[C@@H](CO[Si](C)(C)C)[C@]23C[C@@H](C2=COC=C2)O[C@H]3O)[C@@]1(CO)CC(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file753 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available