Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C26H18O4/c27-25(28)23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(16-12-22)26(29)30/h1-16H,(H,27,28)(H,29,30)
SMILES OC(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)O
InChI Key HKNHBZNRYLZPMH-UHFFFAOYSA-N
Molecular Formula C26H18O4
Exact Mass 394.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HKNHBZNRYLZPMH-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/HKNHBZNRYLZPMH-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:25:52.226118
MetadataModified 2024-09-07T18:19:38.506164
MetadataPublished 2020-08-05
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL14018385 SureChEMBL
15646893 PubChem
J802.802H Nikkaji
ZINC000034616767 ZINC
DTXSID00576270 EPA CompTox Dashboard
CB61454965 ChemicalBook
The data in this table is sourced from UniChem at EBI.