Dataset

Nalbuphine; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001515 contains the MS mass spectrum of Nalbuphine with the InChIkey NETZHAKZCGBWSS-CEDHKZHLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
SMILES C(C1)CC1CN(C6)C(C4)C(O)(C5)C(C6)(C(C(O)C5)2)c(c34)c(c(O)cc3)O2
InChI Key NETZHAKZCGBWSS-CEDHKZHLSA-N
Molecular Formula C21H27NO4
Exact Mass 357.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001515
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5311304 PubChem
    PD009692 ProbesDrugs
    L2T84IQI2K FDA SRS
    DB00844 DrugBank
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    20594-83-6 ACToR
    SCHEMBL3766 SureChEMBL
    14828108 PubChem: Thomson Pharma
    LSM-3477 LINCS
    HMDB0014982 Human Metabolome Database
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    147356 Brenda
    ZINC000003812989 ZINC
    CHEMBL895 ChEMBL
    7454 ChEBI
    C07251 KEGG Ligand
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    50105085 BindingDB
    NUBAIN clinicaltrials
    DTXSID8023345 EPA CompTox Dashboard
    1874 DrugCentral
    1663 Guide to Pharmacology
    J14.212C Nikkaji
    EN-2234A clinicaltrials
    The data in this table is sourced from UniChem at EBI.