Spectrum Details
MiMe ID:MMDBc0003321
Compound Name:Serratin
Derivative IUPAC Name:(3S,7R)-7-hexyl-5-[(trimethylsilyl)oxy]-3-{[(trimethylsilyl)oxy]methyl}-2,3,6,7-tetrahydro-1,4-oxazepin-2-one
Derivative SMILES:CCCCCC[C@@H]1CC(O[Si](C)(C)C)=N[C@@H](CO[Si](C)(C)C)C(=O)O1
Derivative InChIKey:InChIKey=WVGTXPVPJSWZLW-CVEARBPZSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 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:C12H21NO4
Molecular Weight (Monoisotopic Mass):243.1471 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file771 Bytes
mzML formatted file (MZML)Download file4.63 KB
References