Dataset

omeprazole

This MassBank record with Accession MSBNK-UoB-XB000900 contains the MS2 mass spectrum of omeprazole with the InChIkey SUBDBMMJDZJVOS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
SMILES CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC
InChI Key SUBDBMMJDZJVOS-UHFFFAOYSA-N
Molecular Formula C17H19N3O3S
Exact Mass 345.115 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-XB000900
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MetadataCreated 2024-01-11T22:09:42.497358
MetadataModified 2025-02-09T19:56:06.947860
MetadataPublished 2023-04-25
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