Spectrum CCMSLIB00000078100 for Felbamate

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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
25451-15-4, 1177501-39-1 (H2O)
C11H14N2O4
238.095356928
O=C(OCC(C=1C=CC=CC1)COC(=O)N)N
InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)
WKGXYQFOCVYPAC-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
238.095
1
Plate2_21_40_GG6_01_16494.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
3.844785687088089
0.798968909575481
239.103
[M+H]+
1.3673103222990786 ppm
-3.2692799999267663E-4 Da