high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Repository

Chemotion - Repository

The Chemotion - Repository covers research data assigned to molecules, their properties and characterization, as well as reactions and experimental investigations. It is hosted...

License

No License Provided

Export

DCAT-AP(rdf/xml) DCAT-AP(ttl) DCAT-AP(jsonld) DCAT-AP-PLUS(xml) DCAT-AP-PLUS(ttl) DCAT-AP-PLUS(jsonld)

ChemDCAT-AP(xml) ChemDCAT-AP(jsonld) ChemDCAT-AP(ttl)

Schema.Org(rdf/xml) Schema.Org(xml) Schema.Org(ttl) Schema.Org(jsonld)

Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image

InChI	InChI=1S/C15H13ClN2O2/c1-20-11-4-2-10(3-5-11)8-18-9-13-12(15(18)19)6-7-14(16)17-13/h2-7H,8-9H2,1H3
SMILES	COc1ccc(cc1)CN1Cc2c(C1=O)ccc(n2)Cl
InChI Key	VRKYIOICHNNDBW-UHFFFAOYSA-N
Exact Mass	288.729 g/mol

Data and Resources

high-resolution electrospray ionisation mass...HTML

Go to source

Metadata Information

Field	Value
DOI	10.14272/VRKYIOICHNNDBW-UHFFFAOYSA-N/CHMO0000485
License URL
Source	https://www.chemotion-repository.net/inchikey/VRKYIOICHNNDBW-UHFFFAOYSA-N/CHMO0000485
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2026-04-21
Related Molecule

Field	Value
Measurement Technique	high-resolution electrospray ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14991761	surechembl
29363826	surechembl
86685939	pubchem
Molport-042-678-213	molport
The data in this table is sourced from UniChem at EBI.