Dataset

4-Formyl-antipyrine

This MassBank record with Accession MSBNK-UFZ-UF410704 contains the MS2 mass spectrum of 4-Formyl-antipyrine with the InChIkey QFYZFYDOEJZMDX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H12N2O2/c1-9-11(8-15)12(16)14(13(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
SMILES CN1N(C(=O)C(C=O)=C1C)C1=CC=CC=C1
InChI Key QFYZFYDOEJZMDX-UHFFFAOYSA-N
Molecular Formula C12H12N2O2
Exact Mass 216.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF410704
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:56:51.744060
MetadataModified 2025-02-09T19:48:48.676114
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70371 PubChem
950-81-2 ACToR
16903625 PubChem: Thomson Pharma
479636 eMolecules
MCULE-5870576732 Mcule
SCHEMBL680008 SureChEMBL
CHEMBL1705468 ChEMBL
J298.557H Nikkaji
DTXSID10241720 EPA CompTox Dashboard
177038 ChEBI
ZINC000000119347 ZINC
CB2349899 ChemicalBook
The data in this table is sourced from UniChem at EBI.