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Spectrum Details
T3DB ID:T3D4817
Compound Name:Riboflavin
Derivative IUPAC Name:10-[(2S,3R,4R)-4,5-dihydroxy-2,3-bis[(trimethylsilyl)oxy]pentyl]-7,8-dimethyl-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
Derivative SMILES:CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)C1=NC(=O)[NH]C(=O)C1=N2
Derivative InChIKey:InChIKey=CVPHOIDSAJUEMB-WSTZPKSXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C17H20N4O6
Molecular Weight (Monoisotopic Mass):376.1383 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC2=C(C=C1C)N(C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CO)C1=NC(=O)[NH]C(=O)C1=N2)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file744 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available