Dataset

Azole-TP 1,2,4 triazole acetic acid; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ420657 contains the MS2 mass spectrum of Azole-TP 1,2,4 triazole acetic acid with the InChIkey RXDBSQXFIWBJSR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)
SMILES OC(=O)CN1C=NC=N1
InChI Key RXDBSQXFIWBJSR-UHFFFAOYSA-N
Molecular Formula C4H5N3O2
Exact Mass 127.038 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ420657
Version
Author
Maintainer
Language
MetadataPublished 2019-12-03
Related Molecule
  • 2-(1,2,4-triazol-1-yl)acetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1280420 surechembl
    1810180 pubchem
    W3ASK2WBNH fdasrs
    Molport-000-640-783 molport
    The data in this table is sourced from UniChem at EBI.