Dataset

PROPYL BROMIDE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005947 contains the MS mass spectrum of PROPYL BROMIDE with the InChIkey CYNYIHKIEHGYOZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
SMILES CCCBr
InChI Key CYNYIHKIEHGYOZ-UHFFFAOYSA-N
Molecular Formula C3H7Br
Exact Mass 121.973 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005947
Version
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Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-bromopropane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    BESYAZ CCDC
    J4.039H Nikkaji
    DTXSID6021874 EPA CompTox Dashboard
    ZINC000002012917 ZINC
    CHEMBL1230095 ChEMBL
    3BR PDBe
    8991 Brenda
    CB8341613 ChemicalBook
    SCHEMBL2478 SureChEMBL
    47105 ChEBI
    10005625 NMRShiftDB
    MCULE-2393970713 Mcule
    26446-77-5 ACToR
    Y9746DNE68 FDA SRS
    106-94-5 ACToR
    7840 PubChem
    14818169 PubChem: Thomson Pharma
    531141 eMolecules
    The data in this table is sourced from UniChem at EBI.