Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Info

molecular Image
InChI InChI=1S/C14H13NO3/c1-18-14(17)13-7-6-11(10-15)9-12(13)5-3-2-4-8-16/h6-7,9,16H,2,4,8H2,1H3
SMILES COC(=O)c1ccc(cc1C#CCCCO)C#N
InChI Key ICQAWZGUDLLHHP-UHFFFAOYSA-N
Molecular Formula C14H13NO3
Exact Mass 243.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ICQAWZGUDLLHHP-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/ICQAWZGUDLLHHP-UHFFFAOYSA-N/CHMO0000485
Version
Author Irina Balova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:02:11.446373
MetadataModified 2024-09-08T01:02:11.446380
MetadataPublished 2023-06-02
Field Value
Measurement Technique high-resolution electrospray ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
168301081 PubChem
The data in this table is sourced from UniChem at EBI.