Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Information

molecular Image
InChI InChI=1S/C12H15N3O3/c1-8(9(2)17)14-15-10-4-5-12(18-3)11(6-10)13-7-16/h4-7,15H,1-3H3,(H,13,16)/b14-8+
SMILES O=CNc1cc(N/N=C(/C(=O)C)\C)ccc1OC
InChI Key WPBCYIDVZMJOFN-RIYZIHGNSA-N
Molecular Formula C12H15N3O3
Exact Mass 249.266 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WPBCYIDVZMJOFN-RIYZIHGNSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/WPBCYIDVZMJOFN-RIYZIHGNSA-N/CHMO0000498
Version
Author Lena J. Daumann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-11-02
Related Molecule
  • N-[2-methoxy-5-[(2E)-2-(3-oxobutan-2-ylidene)hydrazinyl]phenyl]formamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    165416613 PubChem
    The data in this table is sourced from UniChem at EBI.