Spectrum CCMSLIB00000424788 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
58-74-2
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
339.147058152
N=1C=CC=2C=C(OC)C(OC)=CC2C1CC3=CC=C(OC)C(OC)=C3
XQYZDYMELSJDRZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Lysate
qTof
339.147
1
f.10mauriz/18_br_pos_H_25eV.mgf;
MS2
GNPS-LIBRARY
Lucas Marques, 10mauriz, Norberto Lopes
positive
1.2581063817923233
0.3538630705161606
340.154
[M+H]+
3.0226074072434885 ppm
-0.0010281520000035016 Da