Spectrum PM010810 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
353.13
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
PM010810
Schmidt J, Boettcher C, Kuhnt C, Kutchan TM, & Zenk MH
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/CH3COOH
QIT
Quantum Ultra AM
20->40V
ESI
positive
Papaver somniferum
[M+H]+
MS2
1.8665629571002538
0.8495094112606187
354
[M+H]+
379.3579322034809 ppm
-0.13429270800003223 Da