Dataset

4-Aminoantipyrin

This MassBank record with Accession MSBNK-RIKEN-PR301666 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-PR301666
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:40:55.179081
MetadataModified	2024-01-11T20:40:55.385649
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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