Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C11H8N2O4/c1-17-11(14)8-6-5-7-3-2-4-9(13(15)16)10(7)12-8/h2-6H,1H3
SMILES COC(=O)c1ccc2c(n1)c(ccc2)[N+](=O)[O-]
InChI Key ZJSFNHZUYTYDFN-UHFFFAOYSA-N
Molecular Formula C11H8N2O4
Exact Mass 232.192 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZJSFNHZUYTYDFN-UHFFFAOYSA-N/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/ZJSFNHZUYTYDFN-UHFFFAOYSA-N/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:20:05.709819
MetadataModified 2024-09-07T21:58:53.235810
MetadataPublished 2022-03-14
Field Value
Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID10553936 EPA CompTox Dashboard
13997693 PubChem
ZINC000045954294 ZINC
MCULE-4485446971 Mcule
36379111 eMolecules
The data in this table is sourced from UniChem at EBI.