Spectrum PM010813 for Berberine

Rating: (*)★(*)★(*)☆( )☆( )☆

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
336.12
InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
YBHILYKTIRIUTE-UHFFFAOYSA-N
[C20H18NO4]+
336.12303447609077
O(C=1C=CC2=CC=3C4=CC=5OCOC5C=C4CC[N+]3C=C2C1OC)C

Mass Spectral Metadata

NameValue
PM010813
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
0.6931471805599453
1.0
336