Dataset

4-Acetamidoantipyrin

This MassBank record with Accession MSBNK-Athens_Univ-AU200103 contains the MS2 mass spectrum of 4-Acetamidoantipyrin with the InChIkey OIAGWXKSCXPNNZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
SMILES CN1N(C(=O)C(NC(C)=O)=C1C)C1=CC=CC=C1
InChI Key OIAGWXKSCXPNNZ-UHFFFAOYSA-N
Molecular Formula C13H15N3O2
Exact Mass 245.116 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-AU200103
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:12:54.760596
MetadataModified 2025-02-08T18:55:16.510153
MetadataPublished 2015-12-03
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1831257 ChEMBL
CB9720299 ChemicalBook
535H9N144Z FDA SRS
DTXSID40232106 EPA CompTox Dashboard
ZINC000000041021 ZINC
83513 ChEBI
J47.302B Nikkaji
HOMDOC CCDC
HMDB0246326 Human Metabolome Database
MTBLC83513 Metabolights
MCULE-5753068927 Mcule
20201445 NMRShiftDB
533864 eMolecules
65743 PubChem
SCHEMBL5050992 SureChEMBL
83-15-8 ACToR
15391656 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.