Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C10H10BrNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
SMILES COC(=O)c1cc(Br)ccc1NC(=O)C
InChI Key CPARHIBNDSEJGR-UHFFFAOYSA-N
Molecular Formula C10H10BrNO3
Exact Mass 272.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CPARHIBNDSEJGR-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/CPARHIBNDSEJGR-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:41:31.213258
MetadataModified 2024-09-07T14:31:26.815302
MetadataPublished 2018-07-17
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-6366394097 Mcule
736223 PubChem
517687 eMolecules
138825-96-4 ACToR
SCHEMBL5899451 SureChEMBL
CB2236230 ChemicalBook
ZINC000000156416 ZINC
MolPort-000-877-153 MolPort
DTXSID30352968 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.