Dataset

2-Acetylpyrazine

This MassBank record with Accession MSBNK-Eawag-EQ01151706 contains the MS2 mass spectrum of 2-Acetylpyrazine with the InChIkey DBZAKQWXICEWNW-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
SMILES	CC(=O)C1=NC=CN=C1
InChI Key	DBZAKQWXICEWNW-UHFFFAOYSA-N
Molecular Formula	C6H6N2O
Exact Mass	122.048 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01151706
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:00:12.391582
MetadataModified	2025-02-09T10:00:12.598542
MetadataPublished	2024-05-08
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
492013	eMolecules
PD124028	ProbesDrugs
22047-25-2	ACToR
GR391IBU5C	FDA SRS
16324536	PubChem: Thomson Pharma
30914	PubChem
60021510	NMRShiftDB
131922-02-6	ACToR
173079	Brenda
CB1254200	ChemicalBook
HMDB0031861	Human Metabolome Database
MCULE-7752756680	Mcule
SCHEMBL78340	SureChEMBL
CHEMBL3188662	ChEMBL
J27.905F	Nikkaji
HY-W007692	MedChemExpress
145236	ChEBI
DTXSID5047085	EPA CompTox Dashboard
ZINC000000163730	ZINC
The data in this table is sourced from UniChem at EBI.