Spectrum MoNA036433 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
DAYLJWODMCOQEW-TURQNECASA-N
C11H15N2O8P
334.05660207
O=P([O-])(O)OCC1OC([N+]=2C=CC=C(C2)C(=N)O)C(O)C1O
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent qTOF 6545
C11H15N2O8P
positive
40 eV
Sonnenburg Lab MS2 Library HILIC positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
1.4595727719654852
0.5049775233853914
335.0638781
[M+H]+
2.0711573086342963 ppm
-6.939699999861659E-4 Da