Dataset

high-resolution mass spectrometry (HRMS)

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

Chemical Info

molecular Image
InChI InChI=1S/C15H13NO3/c1-19-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9,14,17H,1H3
SMILES COc1ccc(cc1)N1C(O)c2c(C1=O)cccc2
InChI Key GJYIWQYBISMEII-UHFFFAOYSA-N
Molecular Formula C15H13NO3
Exact Mass 255.269 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GJYIWQYBISMEII-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/GJYIWQYBISMEII-UHFFFAOYSA-N/CHMO0000498
Version
Author Harald Kelm
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:59:09.105418
MetadataModified 2024-09-08T00:59:09.105423
MetadataPublished 2023-05-19
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
8628210 eMolecules
MCULE-8902453663 Mcule
16571308 PubChem: Thomson Pharma
SCHEMBL10555654 SureChEMBL
3688143 PubChem
J2.206.822I Nikkaji
CHEMBL1300465 ChEMBL
The data in this table is sourced from UniChem at EBI.