Dataset

Coumaroyl + C6H9O8 (isomer of 843, 844, 845)

This MassBank record with Accession MSBNK-RIKEN-PR309203 contains the MS2 mass spectrum of Coumaroyl + C6H9O8 (isomer of 843, 844, 845) with the InChIkey LWEUFDJHDOPWFE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H16O10/c16-8-4-1-7(2-5-8)3-6-9(17)25-13(15(23)24)11(19)10(18)12(20)14(21)22/h1-6,10-13,16,18-20H,(H,21,22)(H,23,24)
SMILES O=C(OC(C(=O)O)C(O)C(O)C(O)C(=O)O)C=CC1=CC=C(O)C=C1
InChI Key LWEUFDJHDOPWFE-UHFFFAOYSA-N
Molecular Formula C15H16O10
Exact Mass 356.283 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-PR309203
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:00:08.678778
MetadataModified 2025-02-09T18:28:27.160845
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
145994453 PubChem
The data in this table is sourced from UniChem at EBI.