Spectrum PB002122 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
Natural Product; Berberine Alkaloids
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
PB002122
2016.01.19 (Created 2008.06.06, modified 2013.06.04)
Schmidt J, Institute of Plant Biochemistry, Halle, Germany
CC BY-SA
353.12632
TSQ 7000
LC-ESI-QQ
MS2
35 eV
ESI
positive
3.2815800593758784
0.6631115940290873
[M+H]+
354.13429270800003
0.0 ppm
0.0 Da