Spectrum Details
MiMe ID:MMDBc0016343
Compound Name:Phomaligin A
Derivative IUPAC Name:(6S)-5-[(2-hydroxyethyl)amino]-3-methoxy-2,6-dimethyl-4-[(2S)-2-methylbutanoyl]-6-[(trimethylsilyl)oxy]cyclohexa-2,4-dien-1-one
Derivative SMILES:CC[C@H](C)C(=O)C1=C(NCCO)[C@](C)(O[Si](C)(C)C)C(=O)C(C)=C1OC
Derivative InChIKey:InChIKey=BCCLHGUWXHQODN-BUXKBTBVSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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:C16H25NO5
Molecular Weight (Monoisotopic Mass):311.1733 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file770 Bytes
mzML formatted file (MZML)Download file4.63 KB
References