Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C17H12N2O4.BrH/c20-16(21)12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(4-8-15)17(22)23;/h1-11H,(H-,20,21,22,23);1H
SMILES OC(=O)c1ccc(cc1)n1cc[n+](c1)c1ccc(cc1)C(=O)O.[Br-]
InChI Key IDCIXAUEMSQINH-UHFFFAOYSA-N
Molecular Formula C17H13BrN2O4
Exact Mass 389.200 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDCIXAUEMSQINH-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/IDCIXAUEMSQINH-UHFFFAOYSA-N/CHMO0000470
Version
Author Simon Oßwald
Maintainer Chemotion Repository
Language english
MetadataPublished 2020-04-08
Related Molecule
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    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.