Spectrum CCMSLIB00000424789 for Quinidine

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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
56-54-2
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20-/m0/s1
C20H24N2O2
324.183778008
OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4
LOUPRKONTZGTKE-LHFMAAMQSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
324.184
1
f.10mauriz/19_br_pos_25eV.mgf;
MS2
GNPS-LIBRARY
Lucas Marques, 10mauriz, Norberto Lopes
positive
1.7805224870490333
0.6160185042580941
325.19
[M+H]+
5.375343645231252 ppm
-0.0017480079999927511 Da