Spectrum FiehnHILIC002212 for Oxycodone

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  • Originally submitted to the Fiehn Lab HILIC Library

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
BRUQQQPBMZOVGD-XFKAJCMBSA-N
C18H21NO4
315.14705815200006
O=C1CCC2(O)C3N(C)CCC42C5=C(OC14)C(OC)=CC=C5C3
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/t13-,16+,17+,18-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
4.359883
15 eV
429
positive
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.3117559366463585
0.384102373139012
316.1566
[M+H]+
4.971738688893803 ppm
0.0015718479999691226 Da