Dataset

Baclofen; LC-ESI-QTOF; MS2; 110 V

This MassBank record with Accession MSBNK-BAFG-CSL2311092002 contains the MS2 mass spectrum of Baclofen with the InChIkey KPYSYYIEGFHWSV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
SMILES NCC(CC(O)=O)c1ccc(Cl)cc1
InChI Key KPYSYYIEGFHWSV-UHFFFAOYSA-N
Molecular Formula C10H12ClNO2
Exact Mass 213.056 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311092002
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
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    BACLOFEN clinicaltrials
    GABLOFEN clinicaltrials
    KEMSTRO clinicaltrials
    HY-B0007 MedChemExpress
    H789N3FKE8 FDA SRS
    DTXSID5022641 EPA CompTox Dashboard
    LIORESAL rxnorm
    BACLOFEN rxnorm
    OZOBAX rxnorm
    GABLOFEN rxnorm
    J3.661G Nikkaji
    282 DrugCentral
    BACLOFEN DailyMed
    CHEMBL701 ChEMBL
    2972 ChEBI
    1084 Guide to Pharmacology
    DB00181 DrugBank
    2284 PubChem
    LSM-5169 LINCS
    15195799 PubChem: Thomson Pharma
    78422631 PubChem
    PD002799 ProbesDrugs
    62594-36-9 ACToR
    1134-47-0 ACToR
    187893 ChEBI
    535235 eMolecules
    baclofen DailyMed
    CB8669450 ChemicalBook
    HMDB0014327 Human Metabolome Database
    20134 Brenda
    PA448533 PharmGKB
    MCULE-2275748923 Mcule
    SCHEMBL19333 SureChEMBL
    The data in this table is sourced from UniChem at EBI.