Hmdb loader
Spectrum Details
HMDB ID:HMDB0038883
Compound Name:Sambacin
Derivative IUPAC Name:Not Available
Derivative SMILES:C/C=C1C2=C\C(=O)OC[C@H]3[C@H]([C@@H](C)CO)C[C@@H](OC(=O)C\2=COC\1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[C@@H]3C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Sambacin GC-MS (TMS_2_9) - 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:C26H36O12
Molecular Weight (Monoisotopic Mass):540.2207 Da
Derivative Type:TMS_2_9
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C/C=C1C2=C\C(=O)OC[C@H]3[C@H]([C@@H](C)CO)C[C@@H](OC(=O)C\2=COC\1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[C@@H]3C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available