Dataset

lansoprazole_BTP_M5; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000404 contains the MS2 mass spectrum of lansoprazole_BTP_M5 with the InChIkey GNILTGRCVCMPFJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10F3NO2/c1-6-7(4-14)13-3-2-8(6)15-5-9(10,11)12/h2-3,14H,4-5H2,1H3
SMILES CC1=C(C=CN=C1CO)OCC(F)(F)F
InChI Key GNILTGRCVCMPFJ-UHFFFAOYSA-N
Molecular Formula C9H10F3NO2
Exact Mass 221.066 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-XB000404
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MetadataPublished 2023-04-25
Related Molecule
  • [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11229760 PubChem
    DTXSID50459448 EPA CompTox Dashboard
    J355.023K Nikkaji
    ZINC000012958690 ZINC
    AJR7D4YGL7 FDA SRS
    CB0401058 ChemicalBook
    290137 eMolecules
    16313368 PubChem: Thomson Pharma
    SCHEMBL1681095 SureChEMBL
    The data in this table is sourced from UniChem at EBI.