Dataset

omeprazole_BTP_M2

This MassBank record with Accession MSBNK-UoB-XB000902 contains the MS2 mass spectrum of omeprazole_BTP_M2 with the InChIkey CMZHQFXXAAIBKE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
SMILES CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)CO)OC
InChI Key CMZHQFXXAAIBKE-UHFFFAOYSA-N
Molecular Formula C17H19N3O4S
Exact Mass 361.110 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000902
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MetadataCreated 2024-01-11T22:09:27.490262
MetadataModified 2025-02-09T19:56:15.443446
MetadataPublished 2023-05-03
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