Spectrum Details
MiMe ID:MMDBc0030337
Compound Name:Reduced riboflavin
Derivative IUPAC Name:10-[(2R,3R,4R)-2,3,4,5-tetrakis[(tert-butyldimethylsilyl)oxy]pentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
Derivative SMILES:CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=RRFJEMLHEUTSGO-ANJBIJILSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_4_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:C15H16N4O6
Molecular Weight (Monoisotopic Mass):348.107 Da
Derivative Type:TBDMS_4_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file746 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available