Spectrum CCMSLIB00000078133 for Oxcarbazepine

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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
28721-07-5
C15H12N2O2
252.089877624
O=C(N)N1C=2C=CC=CC2C(=O)CC=3C=CC=CC31
InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)
CTRLABGOLIVAIY-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
Commercial
qTof
252.09
1
Plate2_41_60_GG7_01_16495.mzXML
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.276603984726812
0.6785439515199887
253.097
[M+H]+
3.3490084828660365 ppm
-8.476239999879454E-4 Da