Spectrum PM010812 for Corytuberine

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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
327.15
InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1
WHFUDAOCYRYAKQ-LBPRGKRZSA-N
C19H21NO4
327.147058152
OC=1C(OC)=CC=C2C1C=3C(O)=C(OC)C=C4C3C(N(C)CC4)C2

Mass Spectral Metadata

NameValue
PM010812
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
1.78043934387463
0.8103128657122184
328
[M+H]+
472.64680487804833 ppm
-0.15502815199999986 Da