Spectrum CCMSLIB00000078241 for Carbamazepine (Carbatrol)

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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
298-46-4
C15H12N2O
236.094963004
O=C(N)N1C=2C=CC=CC2C=CC=3C=CC=CC31
InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
FFGPTBGBLSHEPO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
236.095
1
Plate4_1_20_GH2_01_16503.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.096643044419577
0.6415847018005624
237.102
[M+H]+
3.9350321801989163 ppm
-9.330039999895234E-4 Da