Spectrum Details
MiMe ID:MMDBc0015138
Compound Name:Desferriferrichrome
Derivative IUPAC Name:N-hydroxy-N-(3-{3,6,12,15-tetrahydroxy-5,8-bis[3-(N-hydroxyacetamido)propyl]-9,18-bis[(trimethylsilyl)oxy]-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl}propyl)acetamide
Derivative SMILES:CC(=O)N(O)CCCC1N=C(O[Si](C)(C)C)CN=C(O)CN=C(O)CN=C(O[Si](C)(C)C)C(CCCN(O)C(C)=O)N=C(O)C(CCCN(O)C(C)=O)N=C1O
Derivative InChIKey:InChIKey=OMGKDTLBJLXVTB-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 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:C27H45N9O12
Molecular Weight (Monoisotopic Mass):687.3188 Da
Derivative Type:TMS_2_12
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file764 Bytes
mzML formatted file (MZML)Download file4.64 KB
References