Dataset

Morphine; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU158003 contains the MS2 mass spectrum of Morphine with the InChIkey BQJCRHHNABKAKU-KBQPJGBKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
SMILES CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI Key BQJCRHHNABKAKU-KBQPJGBKSA-N
Molecular Formula C17H19NO3
Exact Mass 285.136 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-AU158003
Version
Author
Maintainer
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MetadataPublished 2016-02-22
Related Molecule
  • (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL2997 SureChEMBL
    MTBLC17303 Metabolights
    1050 Brenda
    HMDB0014440 Human Metabolome Database
    morphine DailyMed
    ZINC000003812983 ZINC
    5288826 PubChem
    60059272 NMRShiftDB
    PD010118 ProbesDrugs
    ARYMO clinicaltrials
    MORPHINE HYDROCHLORIDE TRIHYDRATE clinicaltrials
    morphine Atlas
    14775492 PubChem: Thomson Pharma
    57-27-2 ACToR
    47106-99-0 ACToR
    PA450550 PharmGKB
    14897787 PubChem: Thomson Pharma
    76I7G6D29C FDA SRS
    6843460 eMolecules
    17303 ChEBI
    C01516 KEGG Ligand
    DB00295 DrugBank
    CHEMBL70 ChEMBL
    MOI PDBe
    MORPHINE rxnorm
    MORPHABOND rxnorm
    MORPHINE HYDROCHLORIDE rxnorm
    MORPHABOND clinicaltrials
    MORPHINE clinicaltrials
    MORPHINE HYDROCHLORIDE clinicaltrials
    MORPHINE SULFATE clinicaltrials
    MORPHINE SULFATE PENTAHYDRATE clinicaltrials
    KADIAN clinicaltrials
    KAPANOL clinicaltrials
    DEPODUR clinicaltrials
    INFUMORPH clinicaltrials
    DURAMORPH clinicaltrials
    ASTRAMORPH clinicaltrials
    MS CONTIN clinicaltrials
    MST CONTINUS clinicaltrials
    N02AA01 clinicaltrials
    ORAMORPH clinicaltrials
    AVINZA clinicaltrials
    229674 Brenda
    DTXSID9023336 EPA CompTox Dashboard
    1845 DrugCentral
    1627 Guide to Pharmacology
    J2.323J Nikkaji
    MORPHINE SULFATE rxnorm
    INFUMORPH rxnorm
    DURAMORPH rxnorm
    MS CONTIN rxnorm
    KADIAN rxnorm
    MORPHINE DailyMed
    229673 Brenda
    50000092 BindingDB
    MORPIN CCDC
    The data in this table is sourced from UniChem at EBI.