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Spectrum Details
HMDB ID:HMDB0030528
Compound Name:Janthitrem B
Derivative IUPAC Name:Not Available
Derivative SMILES:C=C(C)C1OC2CCC3(C)C(O[Si](C)(C)C(C)(C)C)(CCC4CC5=C(N([Si](C)(C)C(C)(C)C)C6=CC7=C(C=C56)C(O)C5C7=CC(C)(C)OC5(C)C)C43C)C2=CC1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Janthitrem B GC-MS (TBDMS_2_5) - 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:C37H47NO5
Molecular Weight (Monoisotopic Mass):585.3454 Da
Derivative Type:TBDMS_2_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C(C)C1OC2CCC3(C)C(O[Si](C)(C)C(C)(C)C)(CCC4CC5=C(N([Si](C)(C)C(C)(C)C)C6=CC7=C(C=C56)C(O)C5C7=CC(C)(C)OC5(C)C)C43C)C2=CC1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file754 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available