Dataset

Pholcodine; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA001121 contains the MS mass spectrum of Pholcodine with the InChIkey GPFAJKDEDBRFOS-FKQDBXSBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1
SMILES O(C6)CCN(C6)CCOc(c5)c(O4)c(c(c5)1)C(C2)(C34)C([H])(C=CC(O)3)C(N(C)C2)C1
InChI Key GPFAJKDEDBRFOS-FKQDBXSBSA-N
Molecular Formula C23H30N2O4
Exact Mass 398.221 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-WA001121
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (4R,4aR,7S,7aR,12bS)-3-methyl-9-(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0041984 Human Metabolome Database
    ZINC000004217287 ZINC
    MTBLC53579 Metabolights
    SCHEMBL154354 SureChEMBL
    5311356 PubChem
    14830389 PubChem: Thomson Pharma
    PD009004 ProbesDrugs
    LPP64AWZ7L FDA SRS
    CHEMBL2105224 ChEMBL
    509-67-1 ACToR
    PHOLCODINE clinicaltrials
    PHOLCODINE rxnorm
    EGINEP CCDC
    J6.252I Nikkaji
    2154 DrugCentral
    DTXSID70198923 EPA CompTox Dashboard
    9086 Guide to Pharmacology
    DB09209 DrugBank
    53579 ChEBI
    The data in this table is sourced from UniChem at EBI.