Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H16BrN/c17-15-9-11-1-5-13(15)6-2-12-4-8-14(7-3-11)16(18)10-12/h1,4-5,8-10H,2-3,6-7,18H2
SMILES Nc1cc2ccc1CCc1ccc(CC2)c(c1)Br
InChI Key NGRMNRCBYXSZLJ-UHFFFAOYSA-N
Molecular Formula C16H16BrN
Exact Mass 302.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NGRMNRCBYXSZLJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/NGRMNRCBYXSZLJ-UHFFFAOYSA-N/CHMO0000470
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:03:45.493771
MetadataModified 2024-09-07T23:57:09.089522
MetadataPublished 2022-12-07
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15894218 PubChem: Thomson Pharma
ZINC000000409596 ZINC
J1.994.967B Nikkaji
10851867 PubChem
The data in this table is sourced from UniChem at EBI.