Dataset

lansoprazole_BTP_M6; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000405 contains the MS2 mass spectrum of lansoprazole_BTP_M6 with the InChIkey TVMJMCGRSSSSDJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
SMILES CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
InChI Key TVMJMCGRSSSSDJ-UHFFFAOYSA-N
Molecular Formula C16H14F3N3O3S
Exact Mass 385.071 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000405
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MetadataPublished 2023-04-25
Related Molecule
  • 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfonyl]-1H-benzimidazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL4520193 chembl
    106666 surechembl
    30052062 surechembl
    10385385 pubchem
    A62FAW18P1 fdasrs
    PD061056 probes_and_drugs
    TITJUC CCDC
    HMDB0014009 hmdb
    DTXSID80157268 comptox
    Molport-003-848-358 molport
    The data in this table is sourced from UniChem at EBI.