Dataset

Amidopyrine

This MassBank record with Accession MSBNK-Waters-WA001346 contains the MS mass spectrum of Amidopyrine with the InChIkey RMMXTBMQSGEXHJ-UHFFFAOYSA-N.

InChI	InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
SMILES	CN(C)C(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1
InChI Key	RMMXTBMQSGEXHJ-UHFFFAOYSA-N
Molecular Formula	C13H17N3O
Exact Mass	231.137 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001346
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:40:46.140357
MetadataModified	2025-02-09T20:22:43.205828
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD001715	ProbesDrugs
SCHEMBL26293	SureChEMBL
LSM-20000	LINCS
15019234	PubChem: Thomson Pharma
144574-10-7	ACToR
amidopyrine	Selleck
58-15-1	ACToR
537453	eMolecules
HMDB0015493	Human Metabolome Database
PA164748135	PharmGKB
CB1476086	ChemicalBook
148192	Brenda
MCULE-1554715918	Mcule
6009	PubChem
DB01424	DrugBank
CHEMBL288470	ChEMBL
C07539	KEGG Ligand
AMDPYR	CCDC
ZINC000000057115	ZINC
171	DrugCentral
AMINOPYRINE	rxnorm
J2.331K	Nikkaji
74258	BindingDB
DTXSID7020504	EPA CompTox Dashboard
160246	ChEBI
01704YP3MO	FDA SRS
The data in this table is sourced from UniChem at EBI.