Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C17H16O2/c1-12-8-10-15(18-12)17(14-6-4-3-5-7-14)16-11-9-13(2)19-16/h3-11,17H,1-2H3
SMILES Cc1ccc(o1)C(c1ccc(o1)C)c1ccccc1
InChI Key QLZTYUYHMZDOCP-UHFFFAOYSA-N
Molecular Formula C17H16O2
Exact Mass 252.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QLZTYUYHMZDOCP-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/QLZTYUYHMZDOCP-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:13:22.579630
MetadataModified 2024-09-08T04:13:22.579634
MetadataPublished 2024-07-15
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
619851 PubChem
J544.251F Nikkaji
DTXSID10347296 EPA CompTox Dashboard
CHEMBL3290592 ChEMBL
The data in this table is sourced from UniChem at EBI.