Spectrum Details
MiMe ID:MMDBc0026028
Compound Name:(3R,5R)-3-(((3R,5R)-3,5-dihydroxy decanoyl)oxy)-5-hydroxydecanoic acid
Derivative IUPAC Name:5-hydroxy-1-oxo-1-[(trimethylsilyl)oxy]decan-3-yl 3,5-dihydroxydecanoate
Derivative SMILES:CCCCCC(O)CC(O)CC(=O)OC(CC(=O)O[Si](C)(C)C)CC(O)CCCCC
Derivative InChIKey:InChIKey=UCTRQELWIUSLQM-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 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:C20H38O7
Molecular Weight (Monoisotopic Mass):390.2618 Da
Derivative Type:TMS_1_4
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file767 Bytes
mzML formatted file (MZML)Download file4.63 KB
References