Spectrum Details
MiMe ID:MMDBc0017696
Compound Name:Fumonisin b6
Derivative IUPAC Name:2-[2-({19-amino-6-[(3-carboxy-3-{2-oxo-2-[(trimethylsilyl)oxy]ethyl}propanoyl)oxy]-17,18-dihydroxy-5,9-dimethyl-16-[(trimethylsilyl)oxy]icosan-7-yl}oxy)-2-oxoethyl]butanedioic acid
Derivative SMILES:CCCCC(C)C(OC(=O)CC(CC(=O)O[Si](C)(C)C)C(=O)O)C(CC(C)CCCCCCC(O[Si](C)(C)C)C(O)C(O)C(C)N)OC(=O)CC(CC(=O)O)C(=O)O
Derivative InChIKey:InChIKey=VWJJZIQHAXWBFX-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C34H59NO15
Molecular Weight (Monoisotopic Mass):721.3885 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file774 Bytes
mzML formatted file (MZML)Download file4.63 KB
References