Dataset

Bisphenol B

This MassBank record with Accession MSBNK-Antwerp_Univ-AN120329 contains the MS2 mass spectrum of Bisphenol B with the InChIkey HTVITOHKHWFJKO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3
SMILES CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI Key HTVITOHKHWFJKO-UHFFFAOYSA-N
Molecular Formula C16H18O2
Exact Mass 242.131 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-Antwerp_Univ-AN120329
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MetadataCreated 2024-01-11T09:30:02.960017
MetadataModified 2025-02-08T18:44:45.723519
MetadataPublished 2021-08-11
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