Spectrum CCMSLIB00000081725 for Moxifloxacin

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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
151096-09-2
InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
C21H24FN3O4
401.175084468
O=C(O)C1=CN(C2=C(OC)C(=C(F)C=C2C1=O)N3CC4NCCCC4C3)C5CC5
FABPRXSRWADJSP-MEDUHNTESA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
401.175
1
gnps_Moxifloxacin_pos_MplusH.mgf
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
positive
2.9870502462236748
0.7635564111149089
402.178
[M+H]+
12.567738663044064 ppm
-0.005054468000025736 Da