Dataset

Benzoic acid + 2O, O-Hex

This MassBank record with Accession MSBNK-RIKEN-PR309057 contains the MS2 mass spectrum of Benzoic acid + 2O, O-Hex with the InChIkey CBTFERBMQQAROP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)
SMILES O=C(O)C=2C=C(OC1OC(CO)C(O)C(O)C1(O))C=CC=2(O)
InChI Key CBTFERBMQQAROP-UHFFFAOYSA-N
Molecular Formula C13H16O9
Exact Mass 316.262 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-RIKEN-PR309057
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:55:16.087626
MetadataModified 2025-02-09T18:29:57.294375
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
76211590 PubChem
190749 ChEBI
The data in this table is sourced from UniChem at EBI.