Spectrum Details
MiMe ID:MMDBc0020399
Compound Name:Pederin
Derivative IUPAC Name:(2R)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-5,5-dimethyl-4-[(trimethylsilyl)oxy]oxan-2-yl](methoxy)methyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]-2-[(trimethylsilyl)oxy]ethanimidic acid
Derivative SMILES:C=C1C[C@](OC)([C@H](O[Si](C)(C)C)C(O)=N[C@@H](OC)[C@@H]2C[C@@H](O[Si](C)(C)C)C(C)(C)[C@@H](C[C@@H](COC)OC)O2)O[C@H](C)[C@@H]1C
Derivative InChIKey:InChIKey=IGQZQYQEEDMFOQ-PCYMSDAKSA-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:C25H45NO9
Molecular Weight (Monoisotopic Mass):503.3094 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 file775 Bytes
mzML formatted file (MZML)Download file4.63 KB
References