Dataset

3-BROMO-1-PROPYNE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004271 contains the MS mass spectrum of 3-BROMO-1-PROPYNE with the InChIkey YORCIIVHUBAYBQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2
SMILES C#CCBr
InChI Key YORCIIVHUBAYBQ-UHFFFAOYSA-N
Molecular Formula C3H3Br
Exact Mass 117.942 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-JP004271
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-bromoprop-1-yne
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    106-96-7 ACToR
    517845 eMolecules
    14867219 PubChem: Thomson Pharma
    F3H7ZXK9ZU FDA SRS
    SCHEMBL847 SureChEMBL
    20181848 NMRShiftDB
    DTXSID3042340 EPA CompTox Dashboard
    ZINC000001648237 ZINC
    MCULE-7634822695 Mcule
    J5.054G Nikkaji
    CB3162370 ChemicalBook
    7842 PubChem
    The data in this table is sourced from UniChem at EBI.