Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C9H9NO5/c1-14-8-5-6(10(12)13)3-4-7(8)9(11)15-2/h3-5H,1-2H3
SMILES COC(=O)c1ccc(cc1OC)[N+](=O)[O-]
InChI Key TVOXZWILIMTOIT-UHFFFAOYSA-N
Molecular Formula C9H9NO5
Exact Mass 211.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/TVOXZWILIMTOIT-UHFFFAOYSA-N/Mass
License URL
Source https://www.chemotion-repository.net/inchikey/TVOXZWILIMTOIT-UHFFFAOYSA-N/Mass
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2018-09-19
Related Molecule
  • methyl 2-methoxy-4-nitrobenzoate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    656472 surechembl
    10798535 pubchem
    Molport-008-436-169 molport
    The data in this table is sourced from UniChem at EBI.