Dataset

Oxycodone; LC-ESI-QTOF; MS2; HILIC; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU160211 contains the MS2 mass spectrum of Oxycodone with the InChIkey BRUQQQPBMZOVGD-XFKAJCMBSA-N.

Chemical Information

molecular Image
InChI 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
SMILES CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OC
InChI Key BRUQQQPBMZOVGD-XFKAJCMBSA-N
Molecular Formula C18H21NO4
Exact Mass 315.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU160211
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Author
Maintainer
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MetadataPublished 2016-02-26
Related Molecule
  • (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    OXYCODONE DailyMed
    50370595 BindingDB
    OXYCODONE TEREPHTHALATE rxnorm
    OXYCODONE rxnorm
    XTAMPZA rxnorm
    ROXYBOND rxnorm
    OXYCODONE HYDROCHLORIDE rxnorm
    OXAYDO rxnorm
    ROXICODONE rxnorm
    PF-00345439 clinicaltrials
    ROXICODONE clinicaltrials
    ROXYBOND clinicaltrials
    OXYCONTIN clinicaltrials
    REMOXY clinicaltrials
    ENDOCODONE clinicaltrials
    PTI-821 clinicaltrials
    OXECTA clinicaltrials
    OXYCODONE clinicaltrials
    OXYCODONE HYDROCHLORIDE clinicaltrials
    DTXSID5023407 EPA CompTox Dashboard
    2029 DrugCentral
    ZINC000000403533 ZINC
    7093 Guide to Pharmacology
    J9.316E Nikkaji
    LIXVUM CCDC
    OXYCONTIN rxnorm
    7852 ChEBI
    DB00497 DrugBank
    C08018 KEGG Ligand
    CHEMBL656 ChEMBL
    14923583 PubChem: Thomson Pharma
    5284603 PubChem
    60067796 NMRShiftDB
    PD009992 ProbesDrugs
    OOX PDBe
    XTAMPZA ER clinicaltrials
    14825887 PubChem: Thomson Pharma
    76-42-6 ACToR
    PA450741 PharmGKB
    85242752 PubChem: Thomson Pharma
    16697449 PubChem: Thomson Pharma
    CD35PMG570 FDA SRS
    oxycodone DailyMed
    HMDB0014640 Human Metabolome Database
    SCHEMBL2737 SureChEMBL
    The data in this table is sourced from UniChem at EBI.