Spectrum PB002103 for Oxycodone

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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; Morphinan Alkaloids
InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3
BRUQQQPBMZOVGD-UHFFFAOYSA-N
C18H21NO4
315.147058152
O=C1CCC2(O)C3N(C)CCC42C5=C(OC14)C(OC)=CC=C5C3

Mass Spectral Metadata

NameValue
PB002103
2016.01.19 (Created 2008.06.06, modified 2013.06.04)
Schmidt J, Institute of Plant Biochemistry, Halle, Germany
CC BY-SA
315.14706
TSQ 7000
LC-ESI-QQ
MS2
40 eV
ESI
positive
4.291293144419822
0.8170353663434073
[M+H]+
316.155028152
0.0 ppm
0.0 Da