Dataset

Cloprop

This MassBank record with Accession MSBNK-Waters-WA000192 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-WA000192
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:42:28.798064
MetadataModified 2025-02-09T20:22:09.059218
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
49638083 PubChem: Thomson Pharma
SCHEMBL133950 SureChEMBL
489995 eMolecules
101-10-0 ACToR
MCULE-4001320020 Mcule
28FLH86ZOS FDA SRS
CB51030135 ChemicalBook
CHEMBL43642 ChEMBL
J1.081.303D Nikkaji
DTXSID9034232 EPA CompTox Dashboard
J4.992A Nikkaji
CB9433498 ChemicalBook
7542 PubChem
The data in this table is sourced from UniChem at EBI.