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Predicted GC-MS Spectrum - Penitrem B GC-MS (TBDMS_2_3) - 70eV, Positive (HMDB0256239)

Spectrum Details
HMDB ID:HMDB0256239
Compound Name:Penitrem B
Derivative IUPAC Name:Not Available
Derivative SMILES:C=C1CC2=C3C4=C(C=C2)N([Si](C)(C)C(C)(C)C)C2=C4C(OC(C)(C)C4CC1C34)C1CCC3(O)C45OC4C(O[Si](C)(C)C(C)(C)C)C(C(=C)C)OC5CCC3(C)C21C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Penitrem B GC-MS (TBDMS_2_3) - 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
Relative Intensity
20406080100
20406080100050100150200250300350400450500550600650700750800
050100150200250300350400450500550600650700750800
m/z
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:C37H45NO5
Molecular Weight (Monoisotopic Mass):583.3298 Da
Derivative Type:TBDMS_2_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C1CC2=C3C4=C(C=C2)N([Si](C)(C)C(C)(C)C)C2=C4C(OC(C)(C)C4CC1C34)C1CCC3(O)C45OC4C(O[Si](C)(C)C(C)(C)C)C(C(=C)C)OC5CCC3(C)C21C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available