Dataset

Pirimicarb

This MassBank record with Accession MSBNK-Athens_Univ-AU257701 contains the MS2 mass spectrum of Pirimicarb with the InChIkey YFGYUFNIOHWBOB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
SMILES	CN(C)C(=O)OC1=C(C)C(C)=NC(=N1)N(C)C
InChI Key	YFGYUFNIOHWBOB-UHFFFAOYSA-N
Molecular Formula	C11H18N4O2
Exact Mass	238.143 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU257701
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:06:18.184331
MetadataModified	2025-02-08T19:11:05.327940
MetadataPublished	2019-05-29

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14823106	PubChem: Thomson Pharma
31645	PubChem
23103-98-2	ACToR
1I93PS935T	FDA SRS
510072	eMolecules
28339	Brenda
ZINC000000900772	ZINC
53880	Brenda
SCHEMBL26523	SureChEMBL
20208685	NMRShiftDB
HY-119419	MedChemExpress
DUSWIY	CCDC
HMDB0256598	Human Metabolome Database
J1.871F	Nikkaji
DTXSID1032569	EPA CompTox Dashboard
CB8481649	ChemicalBook
8248	ChEBI
CHEMBL1870931	ChEMBL
C11079	KEGG Ligand
The data in this table is sourced from UniChem at EBI.