Spectrum CCMSLIB00000081729 for Gatifloxacin

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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
112811-59-3
InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)
C19H22FN3O4
375.159434404
O=C(O)C1=CN(C2=C(OC)C(=C(F)C=C2C1=O)N3CCNC(C)C3)C4CC4
XUBOMFCQGDBHNK-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
375.159
1
gnps_Gatifloxacin_neg.mgf
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
negative
1.156834487758229
0.5944953256551135
374.143
[M-H]-
24.478351860281183 ppm
-0.009158404000061182 Da