Hmdb loader
Spectrum Details
Compound Name:Euscaphic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:C[C@@H]1CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Euscaphic acid GC-MS (2 TMS) - 70eV, Positive
Splash Key:splash10-014i-2000039000-07af5e8ab34702320bc4
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:C36H64O5Si2
Molecular Weight (Monoisotopic Mass):632.429 Da
Derivative Type:2 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[C@@H]1CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O[Si](C)(C)C)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file760 Bytes
Generated list of m/z values for the spectrum (TXT)Download file760 Bytes
mzML formatted file (MZML)Download file4.66 KB
  1. Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172 ]