Dataset

Cloprop

This MassBank record with Accession MSBNK-Waters-WA000194 contains the MS2 mass spectrum of Cloprop with the InChIkey YNTJKQDWYXUTLZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)
SMILES OC(=O)C(C)Oc(c1)cc(Cl)cc1
InChI Key YNTJKQDWYXUTLZ-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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000194
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:46.081452
MetadataModified 2024-01-11T22:48:46.251704
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J1.081.303D Nikkaji
MCULE-4001320020 Mcule
CB51030135 ChemicalBook
28FLH86ZOS FDA SRS
CHEMBL43642 ChEMBL
49638083 PubChem: Thomson Pharma
SCHEMBL133950 SureChEMBL
489995 eMolecules
101-10-0 ACToR
DTXSID9034232 EPA CompTox Dashboard
CB9433498 ChemicalBook
7542 PubChem
J4.992A Nikkaji
The data in this table is sourced from UniChem at EBI.