Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)

Chemical Info

molecular Image
InChI InChI=1S/C12H14N6O2/c1-8(9-2-4-10(19)5-3-9)13-16-12(20)7-6-11-14-17-18-15-11/h2-5,19H,6-7H2,1H3,(H,16,20)(H,14,15,17,18)/b13-8+
SMILES O=C(CCc1nnn[nH]1)N/N=C(/c1ccc(cc1)O)\C
InChI Key LLVFBEKEDCMPGV-MDWZMJQESA-N
Molecular Formula C12H14N6O2
Exact Mass 274.279 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LLVFBEKEDCMPGV-MDWZMJQESA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/LLVFBEKEDCMPGV-MDWZMJQESA-N/CHMO0000498
Version
Author Andreas Link
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-05-16
Related Molecule
  • N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-(2H-tetrazol-5-yl)propanamide
    • Field Value
    Measurement Technique high-resolution mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168059107 PubChem
    The data in this table is sourced from UniChem at EBI.