Dataset

Azole-TP 1,2,4 triazole acetic acid

This MassBank record with Accession MSBNK-Eawag-EQ420655 contains the MS2 mass spectrum of Azole-TP 1,2,4 triazole acetic acid with the InChIkey RXDBSQXFIWBJSR-UHFFFAOYSA-N.

Chemical Info

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-EQ420655
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:44:47.970535
MetadataModified 2025-02-09T10:05:01.740516
MetadataPublished 2019-12-03
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16336773 PubChem: Thomson Pharma
814912 eMolecules
1810180 PubChem
SCHEMBL1280420 SureChEMBL
W3ASK2WBNH FDA SRS
DTXSID90365231 EPA CompTox Dashboard
ZINC000002168219 ZINC
CB0148229 ChemicalBook
J2.447.098I Nikkaji
MCULE-7489588316 Mcule
The data in this table is sourced from UniChem at EBI.