Dataset

Hippuric acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81396 contains the MS mass spectrum of Hippuric acid with the InChIkey QIAFMBKCNZACKA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
SMILES C1=CC=C(C=C1)C(=O)NCC(=O)O
InChI Key QIAFMBKCNZACKA-UHFFFAOYSA-N
Molecular Formula C9H9NO3
Exact Mass 179.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81396
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:11:35.884197
MetadataModified 2025-02-09T20:11:15.964238
MetadataPublished 2016-01-19
Related Molecule