Dataset

TRIBUTYL BORATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003693 contains the MS mass spectrum of TRIBUTYL BORATE with the InChIkey LGQXXHMEBUOXRP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
SMILES CCCCO[B](OCCCC)OCCCC
InChI Key LGQXXHMEBUOXRP-UHFFFAOYSA-N
Molecular Formula C12H27BO3
Exact Mass 230.205 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-JP003693
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • tributyl borate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID9026184 EPA CompTox Dashboard
    ZINC000169743060 ZINC
    J24.006K Nikkaji
    CB4145842 ChemicalBook
    485978 eMolecules
    12712 PubChem
    15220652 PubChem: Thomson Pharma
    688-74-4 ACToR
    X3UQ8D0UED FDA SRS
    30001420 NMRShiftDB
    SCHEMBL50476 SureChEMBL
    The data in this table is sourced from UniChem at EBI.