Dataset

Ketamine; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU158602 contains the MS2 mass spectrum of Ketamine with the InChIkey YQEZLKZALYSWHR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
SMILES CNC1(CCCCC1=O)C1=CC=CC=C1Cl
InChI Key YQEZLKZALYSWHR-UHFFFAOYSA-N
Molecular Formula C13H16ClNO
Exact Mass 237.092 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-AU158602
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C07525 KEGG Ligand
    6121 ChEBI
    CHEMBL742 ChEMBL
    CB12463567 ChemicalBook
    CB32728970 ChemicalBook
    DB01221 DrugBank
    VETAKET rxnorm
    KETAMINE DailyMed
    KETAMINE rxnorm
    KETALAR rxnorm
    PMI-150 clinicaltrials
    CALYPSOL clinicaltrials
    KETASET clinicaltrials
    KETALAR clinicaltrials
    KETAMINE clinicaltrials
    KETAMINE HYDROCHLORIDE clinicaltrials
    VETAKET clinicaltrials
    VETALAR clinicaltrials
    TEKAM clinicaltrials
    CI-581 clinicaltrials
    690G0D6V8H FDA SRS
    9191 Brenda
    SCHEMBL17084881 SureChEMBL
    MCULE-4905246871 Mcule
    DTXSID8023187 EPA CompTox Dashboard
    1523 DrugCentral
    4233 Guide to Pharmacology
    J343.931C Nikkaji
    J466.592I Nikkaji
    50044140 BindingDB
    KETAMINE HYDROCHLORIDE rxnorm
    ketamine DailyMed
    HMDB0015352 Human Metabolome Database
    3821 PubChem
    PD009954 ProbesDrugs
    SCHEMBL16103 SureChEMBL
    15220836 PubChem: Thomson Pharma
    6740-88-1 ACToR
    PA450144 PharmGKB
    100477-72-3 ACToR
    The data in this table is sourced from UniChem at EBI.