Spectrum Details
MiMe ID:MMDBc0017500
Compound Name:(-)-12-hydroxysydonic acid
Derivative IUPAC Name:4-[(2R,6S)-7-hydroxy-6-methyl-2-[(trimethylsilyl)oxy]heptan-2-yl]-3-[(trimethylsilyl)oxy]benzoic acid
Derivative SMILES:C[C@H](CO)CCC[C@@](C)(O[Si](C)(C)C)C1=CC=C(C(=O)O)C=C1O[Si](C)(C)C
Derivative InChIKey:InChIKey=AYDAIWZTBSWTRT-HRAATJIYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 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:C15H22O5
Molecular Weight (Monoisotopic Mass):282.1467 Da
Derivative Type:TMS_2_5
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file776 Bytes
mzML formatted file (MZML)Download file4.63 KB
References