Dataset

cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-Hexadienedioate, cis,cis-2,4-Hexadienedioic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS064602 contains the MS2 mass spectrum of cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-Hexadienedioate, cis,cis-2,4-Hexadienedioic acid with the InChIkey TXXHDPDFNKHHGW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)
SMILES C(=CC(=O)O)C=CC(=O)O
InChI Key TXXHDPDFNKHHGW-UHFFFAOYSA-N
Molecular Formula C6H6O4
Exact Mass 142.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS064602
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:49.315513
MetadataModified 2025-02-09T19:26:28.110527
MetadataPublished 2009-02-09
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
310 PubChem
DTXSID8049674 EPA CompTox Dashboard
HMDB0062661 Human Metabolome Database
MTBLC38407 Metabolights
MUCONA CCDC
MCULE-7565238801 Mcule
SCHEMBL2726 SureChEMBL
38407 ChEBI
PD101974 ProbesDrugs
The data in this table is sourced from UniChem at EBI.