Spectrum Details
MiMe ID:MMDBc0010950
Compound Name:Pyripyropene Q
Derivative IUPAC Name:[(5aR,7aR,8R,9S,11aS,11bS,12R)-9-(acetyloxy)-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-12-[(trimethylsilyl)oxy]-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-8-yl]methyl propanoate
Derivative SMILES:CCC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]3[C@@H](O[Si](C)(C)C)C4=C(C=C(C5=CC=CN=C5)OC4=O)O[C@]3(C)CC[C@H]21
Derivative InChIKey:InChIKey=RINPNXQNUWMYGU-OERWCVLRSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C30H37NO8
Molecular Weight (Monoisotopic Mass):539.2519 Da
Derivative Type:TMS_1_1
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