Dataset

3-(2-NITROBENZYL)TROPOLONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010989 contains the MS mass spectrum of 3-(2-NITROBENZYL)TROPOLONE with the InChIkey HOJQSUBDFKNVKD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H11NO4/c16-13-8-4-2-6-11(14(13)17)9-10-5-1-3-7-12(10)15(18)19/h1-8H,9H2,(H,16,17)
SMILES [O-1][N+1](=O)c(c2)c(ccc2)CC(C=1)=C(O)C(=O)C=CC1
InChI Key HOJQSUBDFKNVKD-UHFFFAOYSA-N
Molecular Formula C14H11NO4
Exact Mass 257.069 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-JP010989
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-hydroxy-3-[(2-nitrophenyl)methyl]cyclohepta-2,4,6-trien-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13764751 PubChem
    The data in this table is sourced from UniChem at EBI.