Spectrum CCMSLIB00005720173 for Papaverine

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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
InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
C20H21NO4
339.14705815200006
N=1C=CC=2C=C(OC)C(OC)=CC2C1CC3=CC=C(OC)C(OC)=C3
XQYZDYMELSJDRZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
339.147
1
f.pilepoga/Alkalo ANGERS/Papaverine.mgf;
MS2
GNPS-LIBRARY
pilepoga, Le Pogam
positive
3.015793241517123
0.8866857471362963
340.157
[M+H]+
5.796876148147938 ppm
0.001971847999925558 Da