Spectrum MoNA002300 for NICOTINAMIDE MONONUCLEOTIDE

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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
InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/t7-,8-,9-,11-/m1/s1
DAYLJWODMCOQEW-TURQNECASA-N
C11H15N2O8P
334.05660207
O=P([O-])(O)OCC1OC([N+]=2C=CC=C(C2)C(=N)O)C(O)C1O

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
40
C11H15N2O8P
334.05661
334.05661
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.8437815509986997
0.6056061627771772
335.063583374023
[M+H]+
2.9507712149982437 ppm
-9.886959770142312E-4 Da