Spectrum MoNA002007 for RIBOFLAVIN

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
376.13828435999994
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
AUNGANRZJHBGPY-SCRDCRAPSA-N
C17H20N4O6
O=C1N=C(O)C2=NC3=CC(=C(C=C3N(C2=N1)CC(O)C(O)C(O)CO)C)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
40
C17H20N4O6
376.13829
376.13829
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
3.290365617100745
0.6392169300854967
377.146146501814
[M+H]+
0.2859851200140146 ppm
-1.078581859701444E-4 Da