Dataset

Quinic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82033 contains the MS mass spectrum of Quinic acid with the InChIkey AAWZDTNXLSGCEK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)
SMILES C1C(C(C(CC1(C(=O)O)O)O)O)O
InChI Key AAWZDTNXLSGCEK-UHFFFAOYSA-N
Molecular Formula C7H12O6
Exact Mass 192.063 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-BML82033
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:19:46.686187
MetadataModified 2025-02-09T20:11:18.845395
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1064 PubChem
J22.857E Nikkaji
177632 ChEBI
8316123 eMolecules
470-63-3 ACToR
SCHEMBL614369 SureChEMBL
PD056359 ProbesDrugs
562-73-2 ACToR
30095863 NMRShiftDB
729224 eMolecules
MCULE-2574248919 Mcule
The data in this table is sourced from UniChem at EBI.