Spectrum Details
MiMe ID:MMDBc0018994
Compound Name:Pseurotin A2
Derivative IUPAC Name:(5R,8R,9S)-8-benzoyl-2-[(4S,5S)-5-[(1Z)-but-1-en-1-yl]-2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctan-4-yl]-6,9-dihydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
Derivative SMILES:CC/C=C\[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1=C(C)C(=O)[C@]2(O1)C(O)=N[C@](OC)(C(=O)C1=CC=CC=C1)[C@H]2O
Derivative InChIKey:InChIKey=JCDPUDPBMWMWRH-JEMKFIMISA-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:C22H25NO8
Molecular Weight (Monoisotopic Mass):431.158 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 file781 Bytes
mzML formatted file (MZML)Download file4.63 KB
References