Dataset

4-Aminoantipyrin

This MassBank record with Accession MSBNK-RIKEN-PR301663 contains the MS2 mass spectrum of 4-Aminoantipyrin with the InChIkey RLFWWDJHLFCNIJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
SMILES	CN1N(C(=O)C(N)=C1C)C1=CC=CC=C1
InChI Key	RLFWWDJHLFCNIJ-UHFFFAOYSA-N
Molecular Formula	C11H13N3O
Exact Mass	203.245 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301663
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:42:27.730622
MetadataModified	2024-01-11T20:42:27.898536
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB7485059	ChemicalBook
HY-B1398	MedChemExpress
152508	Brenda
2305	Brenda
DTXSID8048860	EPA CompTox Dashboard
ZINC000000061079	ZINC
J796J	Nikkaji
HMDB0246350	Human Metabolome Database
LOYXEE	CCDC
85515	BindingDB
CB02106142	ChemicalBook
CHEMBL1165011	ChEMBL
59026	ChEBI
144121	Brenda
105431	Brenda
MTBLC59026	Metabolights
43416	Brenda
20112708	NMRShiftDB
SCHEMBL128544	SureChEMBL
MCULE-4331793421	Mcule
15220065	PubChem: Thomson Pharma
257534	Brenda
PD000692	ProbesDrugs
0M0B7474RA	FDA SRS
LSM-5369	LINCS
83-07-8	ACToR
2151	PubChem
476456	eMolecules
The data in this table is sourced from UniChem at EBI.