Dataset

lansoprazole_BTP_M4; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000403 contains the MS2 mass spectrum of lansoprazole_BTP_M4 with the InChIkey KBASACMMMIECCX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12F3NO3S/c1-7-8(4-18(16)6-15)14-3-2-9(7)17-5-10(11,12)13/h2-3,15H,4-6H2,1H3
SMILES CC1=C(OCC(F)(F)F)C=CN=C1CS(CO)=O
InChI Key KBASACMMMIECCX-UHFFFAOYSA-N
Molecular Formula C10H12F3NO3S
Exact Mass 283.049 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-XB000403
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MetadataPublished 2023-04-25
Related Molecule
  • [3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinylmethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168476566 PubChem
    The data in this table is sourced from UniChem at EBI.