Dataset

Methyl-3-[(2-nitrobenzoyl)amino]benzoate

This MassBank record with Accession MSBNK-Fiocruz-FIO00307 contains the MS2 mass spectrum of Methyl-3-[(2-nitrobenzoyl)amino]benzoate with the InChIkey OWQNWJPLMHWHSM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12N2O5/c1-22-15(19)10-5-4-6-11(9-10)16-14(18)12-7-2-3-8-13(12)17(20)21/h2-9H,1H3,(H,16,18)
SMILES COC(=O)c(c2)cc(cc2)NC(=O)c(c1)c(ccc1)[N+1]([O-1])=O
InChI Key OWQNWJPLMHWHSM-UHFFFAOYSA-N
Molecular Formula C15H12N2O5
Exact Mass 300.075 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00307
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:36:27.437011
MetadataModified 2024-01-11T16:36:27.606741
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-3354956024 Mcule
MolPort-003-352-357 MolPort
9671550 eMolecules
17399791 PubChem
SCHEMBL13709155 SureChEMBL
ZINC000009364978 ZINC
177045 ChEBI
The data in this table is sourced from UniChem at EBI.