Dataset

Cloprop; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

This MassBank record with Accession MSBNK-Waters-WA000195 contains the MS2 mass spectrum of Cloprop with the InChIkey YNTJKQDWYXUTLZ-UHFFFAOYSA-N.

Chemical Information

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

ClopropHTML

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Related Molecule ⌄

2-(3-chlorophenoxy)propanoic acid

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000195
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	2-(3-chlorophenoxy)propanoic acid

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL43642	chembl
133950	surechembl
29368187	surechembl
7542	pubchem
28FLH86ZOS	fdasrs
DTXSID9034232	comptox
Molport-001-794-400	molport
The data in this table is sourced from UniChem at EBI.