Dataset

omeprazole_BTP_M4; LC-ESI-FT; MS2; CE: 25,60,100%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-UoB-XB000903 contains the MS2 mass spectrum of omeprazole_BTP_M4 with the InChIkey ZBGMHRIYIGAEGJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H19N3O5S/c1-10-8-20(21)15(11(2)16(10)25-4)9-26(22,23)17-18-13-6-5-12(24-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H,18,19)
SMILES CC1=C[N+](=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC)[O-]
InChI Key ZBGMHRIYIGAEGJ-UHFFFAOYSA-N
Molecular Formula C17H19N3O5S
Exact Mass 377.104 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-XB000903
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MetadataPublished 2023-05-03
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    21256701 PubChem
    CB61176650 ChemicalBook
    DTXSID60166530 EPA CompTox Dashboard
    ZINC000022065482 ZINC
    CHEMBL4210233 ChEMBL
    J588.001G Nikkaji
    46529195 PubChem: Thomson Pharma
    17406267 eMolecules
    SCHEMBL6949568 SureChEMBL
    3GZ7SI3024 FDA SRS
    The data in this table is sourced from UniChem at EBI.