Spectrum CCMSLIB00000081724 for Ofloxacin

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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
82419-36-1
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
C18H20FN3O4
361.14378434
O=C(O)C1=CN2C3=C(OCC2C)C(=C(F)C=C3C1=O)N4CCN(C)CC4
GSDSWSVVBLHKDQ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
361.144
1
gnps_Ofloxacin_neg.mgf
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
negative
1.2311620817018367
0.43454619620675067
360.128
[M+H]+
5619.541774036007 ppm
-2.023754340000039 Da