Dataset

Noramidopyrine

This MassBank record with Accession MSBNK-Waters-WA002555 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-WA002555
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:39:49.290326
MetadataModified	2025-02-09T20:23:07.778356
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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