Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C12H10N2.ClH/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14;/h2-8H,1H3;1H
SMILES C[n+]1ccc2c(c1)[nH]c1c2cccc1.[Cl-]
InChI Key MBTCRVJGAFPEJM-UHFFFAOYSA-N
Molecular Formula C12H11ClN2
Exact Mass 218.682 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MBTCRVJGAFPEJM-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/MBTCRVJGAFPEJM-UHFFFAOYSA-N/CHMO0000470
Version
Author Stefan Bräse
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:49:18.334680
MetadataModified 2024-09-08T00:49:18.334685
MetadataPublished 2023-03-24
Field Value
Measurement Technique mass spectrometry
Measurement Variables