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
Version
Author
Maintainer
Language
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
    17405099 eMolecules
    PD061056 ProbesDrugs
    A62FAW18P1 FDA SRS
    131926-99-3 ACToR
    15400796 PubChem: Thomson Pharma
    10385385 PubChem
    SCHEMBL106666 SureChEMBL
    TITJUC CCDC
    ZINC000021981235 ZINC
    DTXSID80157268 EPA CompTox Dashboard
    J366.139C Nikkaji
    HMDB0014009 Human Metabolome Database
    CHEMBL4520193 ChEMBL
    CB1774443 ChemicalBook
    The data in this table is sourced from UniChem at EBI.