Dataset

Antipyrine

This MassBank record with Accession MSBNK-Waters-WA001836 contains the MS mass spectrum of Antipyrine with the InChIkey VEQOALNAAJBPNY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
SMILES CC(=C2)N(C)N(C(=O)2)c(c1)cccc1
InChI Key VEQOALNAAJBPNY-UHFFFAOYSA-N
Molecular Formula C11H12N2O
Exact Mass 188.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001836
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:20.575799
MetadataModified 2024-01-11T22:46:20.752222
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-9945022433 Mcule
ANTPYR CCDC
J2.340J Nikkaji
2206 PubChem
60020645 NMRShiftDB
PD002469 ProbesDrugs
T3CHA1B51H FDA SRS
LSM-3038 LINCS
antipyrene Recon
14797281 PubChem: Thomson Pharma
123175-91-7 ACToR
SCHEMBL20452 SureChEMBL
PA448453 PharmGKB
antipyrine Selleck
60-80-0 ACToR
antipyrine DailyMed
HMDB0015503 Human Metabolome Database
478166 eMolecules
CB8200943 ChemicalBook
ANTIPYRINE DailyMed
ANTIPYRINE rxnorm
ANTIPYRINE clinicaltrials
PHENAZONE clinicaltrials
ZINC000000061044 ZINC
DTXSID6021117 EPA CompTox Dashboard
50103600 BindingDB
861 DrugCentral
HY-B0171 MedChemExpress
CHEMBL277474 ChEMBL
31225 ChEBI
C13244 KEGG Ligand
DB01435 DrugBank
The data in this table is sourced from UniChem at EBI.