Dataset

MCPA

This MassBank record with Accession MSBNK-Eawag-EQ00026154 contains the MS2 mass spectrum of MCPA with the InChIkey WHKUVVPPKQRRBV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
SMILES CC1=C(OCC(O)=O)C=CC(Cl)=C1
InChI Key WHKUVVPPKQRRBV-UHFFFAOYSA-N
Molecular Formula C9H9ClO3
Exact Mass 200.024 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-Eawag-EQ00026154
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:11:33.056538
MetadataModified 2025-02-09T10:11:33.233619
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
492027 eMolecules
15195525 PubChem: Thomson Pharma
7204 PubChem
PD157997 ProbesDrugs
SCHEMBL117877 SureChEMBL
11111-13-0 ACToR
94-74-6 ACToR
D888C394VO FDA SRS
MCULE-3405120876 Mcule
20039696 NMRShiftDB
CB0165198 ChemicalBook
50213927 BindingDB
CMPHAA CCDC
HMDB0254366 Human Metabolome Database
J25.212C Nikkaji
ZINC000000404797 ZINC
DTXSID4024195 EPA CompTox Dashboard
HY-B0859 MedChemExpress
C18528 KEGG Ligand
CHEMBL394657 ChEMBL
50099 ChEBI
The data in this table is sourced from UniChem at EBI.