Spectrum VF-NPL-QEHF001859 for Papaverine

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
339.147058152
N=1C=CC=2C=C(OC)C(OC)=CC2C1CC3=CC=C(OC)C(OC)=C3
XQYZDYMELSJDRZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C1_51_p11_A03_POS_QEHF_78.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.224192530774067
0.41486128008465917
340.1543273925781
[M+H]+
2.0601220253361787 ppm
-7.007594218748636E-4 Da