Dataset

Triisopropanolamine borate; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ501201 contains the MS2 mass spectrum of Triisopropanolamine borate with the InChIkey IWKGJTDSJPLUCE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H18BNO3/c1-7-4-11-5-8(2)13-10(12-7)14-9(3)6-11/h7-9H,4-6H2,1-3H3
SMILES B12OC(CN(CC(O1)C)CC(O2)C)C
InChI Key IWKGJTDSJPLUCE-UHFFFAOYSA-N
Molecular Formula C9H18BNO3
Exact Mass 199.138 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ501201
Version
Author
Maintainer
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MetadataPublished 2021-03-16
Related Molecule
  • 3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30001425 NMRShiftDB
    714010 eMolecules
    101-00-8 ACToR
    CB1406308 ChemicalBook
    SCHEMBL17679742 SureChEMBL
    J542.518B Nikkaji
    225550 PubChem
    The data in this table is sourced from UniChem at EBI.