Spectrum CO000326 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
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
315.14705815200006
O=C1CCC2(O)C3N(C)CCC42C5=C(OC14)C(OC)=CC=C5C3

Mass Spectral Metadata

NameValue
CO000326
2016.01.19 (Created 2008.07.15, modified 2012.11.20)
Dennis W. Hill, Tzipporah M. Kertesz, Robert Friedman, David F. Grant
CC BY-SA
Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra, http://pubs.acs.org/doi/abs/10.1021/ac800548g
315.14706
Micromass Q-TOF II
LC-ESI-QTOF
MS2
10 eV
ESI
positive
0.17560030580404717
0.2533376903620843
316.155
[M+H]+
0.08904493075862119 ppm
-2.815200008399188E-5 Da