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/C17H14O5/c1-20-16(18)11-6-7-13-14(10-11)12-4-2-8-21-9-3-5-15(12)22-17(13)19/h6-7,10H,3,5,8-9H2,1H3
SMILES COC(=O)c1ccc2c(c1)c1C#CCOCCCc1oc2=O
InChI Key MTTHMHHBSGCPOH-UHFFFAOYSA-N
Molecular Formula C17H14O5
Exact Mass 298.290 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MTTHMHHBSGCPOH-UHFFFAOYSA-N/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/MTTHMHHBSGCPOH-UHFFFAOYSA-N/CHMO0000485
Version
Author Natalia Danilkina
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:24:21.790524
MetadataModified 2024-09-08T00:23:59.416062
MetadataPublished 2023-02-16
Field Value
Measurement Technique high-resolution electrospray ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
166625044 PubChem
The data in this table is sourced from UniChem at EBI.