Dataset

N-METHYL-2,4-DINITROBENZENAMINE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003271 contains the MS mass spectrum of N-METHYL-2,4-DINITROBENZENAMINE with the InChIkey IQEJEZOCXWJNKR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,1H3
SMILES CNc(c1)c([N+1]([O-1])=O)cc(c1)[N+1]([O-1])=O
InChI Key IQEJEZOCXWJNKR-UHFFFAOYSA-N
Molecular Formula C7H7N3O4
Exact Mass 197.044 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP003271
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • N-methyl-2,4-dinitroaniline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    74891 PubChem
    MCULE-7506260206 Mcule
    20037716 NMRShiftDB
    CB7507775 ChemicalBook
    CB0884332 ChemicalBook
    92761587 PubChem: Thomson Pharma
    SCHEMBL365880 SureChEMBL
    2044-88-4 ACToR
    YMZ75L8MPZ FDA SRS
    1061796 eMolecules
    71607-48-2 ACToR
    ZINC000004115694 ZINC
    LIJQEE CCDC
    The data in this table is sourced from UniChem at EBI.