Dataset

acetaminophen_BTP_M5

This MassBank record with Accession MSBNK-UoB-XB000504 contains the MS2 mass spectrum of acetaminophen_BTP_M5 with the InChIkey HRLQZTOIKWEZBN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H9NO6S/c1-5(10)9-7-3-2-6(4-8(7)11)15-16(12,13)14/h2-4,11H,1H3,(H,9,10)(H,12,13,14)
SMILES CC(=O)NC1=C(C=C(C=C1)OS(=O)(=O)O)O
InChI Key HRLQZTOIKWEZBN-UHFFFAOYSA-N
Molecular Formula C8H9NO6S
Exact Mass 247.015 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-XB000504
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MetadataCreated 2024-01-11T22:09:23.777498
MetadataModified 2025-02-09T19:56:08.988025
MetadataPublished 2023-04-25
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