Dataset

fast-atom bombardment mass spectrometry (FABMS)

dataset for fast-atom bombardment mass spectrometry (FABMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H6Br2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
SMILES Brc1ccc(c(c1)C(=O)C)Br
InChI Key QFXROJNBTPMHSS-UHFFFAOYSA-N
Molecular Formula C8H6Br2O
Exact Mass 277.941 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QFXROJNBTPMHSS-UHFFFAOYSA-N/CHMO0000563
License URL
Source https://www.chemotion-repository.net/inchikey/QFXROJNBTPMHSS-UHFFFAOYSA-N/CHMO0000563
Version
Author Christoph Zippel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T01:57:14.148610
MetadataModified 2024-09-07T16:20:54.102330
MetadataPublished 2020-01-08
Field Value
Measurement Technique fast-atom bombardment mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
87353949 PubChem: Thomson Pharma
ZINC000002583728 ZINC
DTXSID00523209 EPA CompTox Dashboard
20237325 NMRShiftDB
J88.834F Nikkaji
13158580 PubChem
SCHEMBL1310573 SureChEMBL
The data in this table is sourced from UniChem at EBI.