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(tll) DCAT-AP-PLUS(jsonld)

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/C19H15F3O/c1-12-15(10-11-18(12)23)17-5-3-2-4-16(17)13-6-8-14(9-7-13)19(20,21)22/h2-9H,10-11H2,1H3
SMILES	O=C1CCC(=C1C)c1ccccc1c1ccc(cc1)C(F)(F)F
InChI Key	UOYWHQHXFWZCLY-UHFFFAOYSA-N
Exact Mass	316.317 g/mol

Data and Resources

high-resolution electrospray ionisation mass...HTML

Go to source

Metadata Information

Field	Value
DOI	10.14272/UOYWHQHXFWZCLY-UHFFFAOYSA-N/CHMO0000485
License URL
Source	https://www.chemotion-repository.net/inchikey/UOYWHQHXFWZCLY-UHFFFAOYSA-N/CHMO0000485
Version
Author	Thorsten Bach
Maintainer	Chemotion Repository
Language	english
MetadataPublished	2025-11-24
Related Molecule

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

Data-Source Molecule ID	Data-Source
177693421	pubchem
The data in this table is sourced from UniChem at EBI.