Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C11H12BrN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
SMILES Brc1ccc2c(c1)C(C)(C)C(=N2)C
InChI Key OUWLZEOAVCFTAQ-UHFFFAOYSA-N
Molecular Formula C11H12BrN
Exact Mass 238.124 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/OUWLZEOAVCFTAQ-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/OUWLZEOAVCFTAQ-UHFFFAOYSA-N/Mass
Version
Author Alex Braun
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:53:37.016853
MetadataModified 2024-09-07T14:48:27.136908
MetadataPublished 2019-02-25
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11230141 PubChem
SCHEMBL317019 SureChEMBL
J1.770.237H Nikkaji
DTXSID80459476 EPA CompTox Dashboard
ZINC000009970280 ZINC
CB4699279 ChemicalBook
219341 Brenda
16313798 PubChem: Thomson Pharma
1938498 eMolecules
The data in this table is sourced from UniChem at EBI.