Spectrum CCMSLIB00000078598 for Flumequine

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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
42835-25-6,143984-63-8,42835-68-7(sodium salt)
C14H12FNO3
261.080121464
O=C(O)C1=CN2C=3C(=CC(F)=CC3CCC2C)C1=O
InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)
DPSPPJIUMHPXMA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
261.08
1
Plate9_61_80_GC7_01_15756.mzXML
LC-ESI
Commercial
qTof
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
2.897577826569021
0.45649915750574427
262.087
[M+H]+
4.164510258091266 ppm
-0.0010914640000123654 Da