Spectrum MoNA016209 for Protopine

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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/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
GPTFURBXHJWNHR-UHFFFAOYSA-N
C20H19NO5
353.12632270800003
O=C1C2=CC=3OCOC3C=C2CCN(C)CC4=C5OCOC5=CC=C4C1

Mass Spectral Metadata

NameValue
Waters QTOF SYNAPT
argon
25 eV
Hypersil GOLD 2.1 x 150 mm C18 5um
0.1% formic acid
95%MeCN/0.1% formic acid
6-36% 0.1%formic acid/95%MeCN over 30 min
0.2 ml/min
30 C
19.4
Commercial standard
License CC-BY-NC-SA 4.0 International
UIC Center for Botanical Dietary Supplements Research
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341503/
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
Dejan Nikolic
positive
2.0084682911934064
0.8375963345761558
354.1359
[M+H]+
4.538630508683602 ppm
0.0016072919999601254 Da