Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H5IN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2
SMILES Ic1ccc(c(c1)[N+](=O)[O-])N
InChI Key QVCRSYXVWPPBFJ-UHFFFAOYSA-N
Molecular Formula C6H5IN2O2
Exact Mass 264.021 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QVCRSYXVWPPBFJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/QVCRSYXVWPPBFJ-UHFFFAOYSA-N/CHMO0000470
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T02:04:31.367933
MetadataModified 2024-09-08T02:04:31.367938
MetadataPublished 2023-12-07
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
527545 eMolecules
ZINC000012957450 ZINC
DTXSID70463820 EPA CompTox Dashboard
CB5498903 ChemicalBook
11369072 PubChem
16462042 PubChem: Thomson Pharma
SCHEMBL571279 SureChEMBL
CAMSOZ CCDC
20182151 NMRShiftDB
The data in this table is sourced from UniChem at EBI.