Dataset

Vanillic acid

This MassBank record with Accession MSBNK-BS-BS003126 contains the MS2 mass spectrum of Vanillic acid with the InChIkey WKOLLVMJNQIZCI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
SMILES C(OC1=C(C(=C(C(=C1[H])C(=O)O[H])[H])[H])O[H])([H])([H])[H]
InChI Key WKOLLVMJNQIZCI-UHFFFAOYSA-N
Molecular Formula C8H8O4
Exact Mass 168.042 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003126
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MetadataCreated 2024-01-11T12:41:14.952648
MetadataModified 2025-02-09T08:48:03.807764
MetadataPublished 2017-12-01
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