Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C16H12N2O5/c1-6-4-10(16(22)23-3)18-13-11(6)12-8(14(20)15(13)21)5-9(17-12)7(2)19/h4-5,17H,1-3H3
SMILES COC(=O)c1cc(C)c2-c3[nH]c(cc3C(=O)C(=O)c2n1)C(=O)C
InChI Key WMGUYZIVIVLQHB-UHFFFAOYSA-N
Molecular Formula C16H12N2O5
Exact Mass 312.277 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WMGUYZIVIVLQHB-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/WMGUYZIVIVLQHB-UHFFFAOYSA-N/CHMO0000498
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-02
Related Molecule
  • methyl 2-acetyl-9-methyl-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7-carboxylate
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416618 PubChem
    The data in this table is sourced from UniChem at EBI.