Spectrum PM000707 for Oripavine

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
297.14
InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1
ZKLXUUYLEHCAMF-UUWFMWQGSA-N
C18H19NO3
297.13649346799997
OC1=CC=C2C3=C1OC4C(OC)=CC=C5C(N(C)CCC354)C2

Mass Spectral Metadata

NameValue
ESI
PM000707
Raith K, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
QIT
LCQ Classic
16%
positive
authentic sample
[M+H]+
MS2
1.565503343160519
0.8045095730244938
298
[M+H]+
484.77673825493105 ppm
-0.14446346799996945 Da