Dataset

4-Formylaminoantipyrine

This MassBank record with Accession MSBNK-Athens_Univ-AU200603 contains the MS2 mass spectrum of 4-Formylaminoantipyrine with the InChIkey WSJBSKRPKADYRQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
SMILES Cc1c(c(=O)n(n1C)c2ccccc2)/N=C/O
InChI Key WSJBSKRPKADYRQ-UHFFFAOYSA-N
Molecular Formula C12H13N3O2
Exact Mass 231.101 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-Athens_Univ-AU200603
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:52:40.750604
MetadataModified 2025-02-08T19:06:25.922079
MetadataPublished 2015-12-03
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1071371 eMolecules
1672-58-8 ACToR
15464481 PubChem: Thomson Pharma
SCHEMBL6812409 SureChEMBL
MTBLC83526 Metabolights
CB2876357 ChemicalBook
USOBUA CCDC
HY-133588 MedChemExpress
DTXSID10168241 EPA CompTox Dashboard
J61.595A Nikkaji
HMDB0246429 Human Metabolome Database
63DKU1M0XK FDA SRS
ZINC000000301550 ZINC
83526 ChEBI
72666 PubChem
MCULE-4865850721 Mcule
The data in this table is sourced from UniChem at EBI.