Dataset

Noramidopyrine

This MassBank record with Accession MSBNK-Waters-WA002552 contains the MS mass spectrum of Noramidopyrine with the InChIkey JILCEWWZTBBOFS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H15N3O/c1-9-11(13-2)12(16)15(14(9)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3
SMILES	CNC(=C(C)1)C(=O)N(c(c2)cccc2)N(C)1
InChI Key	JILCEWWZTBBOFS-UHFFFAOYSA-N
Molecular Formula	C12H15N3O
Exact Mass	217.122 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002552
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:48:34.511403
MetadataModified	2024-01-11T22:48:34.668081
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J25.268I	Nikkaji
SCHEMBL537958	SureChEMBL
MCULE-6328142081	Mcule
PD127426	ProbesDrugs
80004443	NMRShiftDB
NER31DE951	FDA SRS
14822589	PubChem: Thomson Pharma
73261	ChEBI
519-98-2	ACToR
HY-135731	MedChemExpress
DTXSID80199865	EPA CompTox Dashboard
50360021	BindingDB
10618	PubChem
HMDB0013839	Human Metabolome Database
ZINC000000121456	ZINC
32147	Brenda
MTBLC73261	Metabolights
CB5924116	ChemicalBook
CHEMBL1164701	ChEMBL
1073601	eMolecules
The data in this table is sourced from UniChem at EBI.