Dataset

Mecoprop

This MassBank record with Accession MSBNK-Waters-WA002596 contains the MS mass spectrum of Mecoprop with the InChIkey WNTGYJSOUMFZEP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
SMILES OC(=O)C(C)Oc(c1)c(C)cc(Cl)c1
InChI Key WNTGYJSOUMFZEP-UHFFFAOYSA-N
Molecular Formula C10H11ClO3
Exact Mass 214.040 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-Waters-WA002596
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:11.475131
MetadataModified 2024-01-11T22:48:11.633501
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
7153 PubChem
SCHEMBL53198 SureChEMBL
93-65-2 ACToR
7085-19-0 ACToR
20040344 NMRShiftDB
J3.940C Nikkaji
75704 ChEBI
J330.862F Nikkaji
HMDB0254398 Human Metabolome Database
MCULE-5901282849 Mcule
DTXSID9024194 EPA CompTox Dashboard
74N8TKR9P8 FDA SRS
50375464 BindingDB
CB4374514 ChemicalBook
500881 eMolecules
14773420 PubChem: Thomson Pharma
CB1374513 ChemicalBook
CHEMBL272942 ChEMBL
C18742 KEGG Ligand
The data in this table is sourced from UniChem at EBI.