Dataset

Coumaroyl quinic acid (isomer of 758, 759)

This MassBank record with Accession MSBNK-RIKEN-PR309014 contains the MS2 mass spectrum of Coumaroyl quinic acid (isomer of 758, 759) with the InChIkey XWRHBGVVCOSNKO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)
SMILES O=C(OC1C(O)CC(O)(C(=O)O)CC1(O))C=CC2=CC=C(O)C=C2
InChI Key XWRHBGVVCOSNKO-UHFFFAOYSA-N
Molecular Formula C16H18O8
Exact Mass 338.312 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-PR309014
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:32:06.832314
MetadataModified 2025-02-09T18:26:05.039822
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
179719 PubChem
The data in this table is sourced from UniChem at EBI.