Dataset

high-resolution mass spectrometry (HRMS)

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

Chemical Info

molecular Image
InChI InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)
SMILES OC(=O)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)C(=O)O
InChI Key FZTIWOBQQYPTCJ-UHFFFAOYSA-N
Molecular Formula C20H14O4
Exact Mass 318.323 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FZTIWOBQQYPTCJ-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/FZTIWOBQQYPTCJ-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:26:05.006166
MetadataModified 2024-09-07T18:19:52.982448
MetadataPublished 2020-08-05
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3369891 PubChem
J780.962J Nikkaji
2745651 eMolecules
SCHEMBL2637326 SureChEMBL
MCULE-6824837365 Mcule
ZINC000003147211 ZINC
DTXSID60391880 EPA CompTox Dashboard
CB91454991 ChemicalBook
The data in this table is sourced from UniChem at EBI.