Dataset

N-2-Acetylguanine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81732 contains the MS mass spectrum of N-2-Acetylguanine with the InChIkey MXSMRDDXWJSGMC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H7N5O2/c1-3(13)10-7-11-5-4(6(14)12-7)8-2-9-5/h2H,1H3,(H3,8,9,10,11,12,13,14)
SMILES	CC(=O)NC1=NC(=O)C2=C(N1)N=CN2
InChI Key	MXSMRDDXWJSGMC-UHFFFAOYSA-N
Molecular Formula	C7H7N5O2
Exact Mass	193.060 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-Washington_State_Univ-BML81732
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:28:08.041573
MetadataModified	2024-01-11T22:28:08.193782
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
19962-37-9	ACToR
SCHEMBL219477	SureChEMBL
15923570	PubChem: Thomson Pharma
14769762	PubChem: Thomson Pharma
J280.412C	Nikkaji
28081	Brenda
CB4194385	ChemicalBook
135432176	PubChem
ZINC000000058129	ZINC
MCULE-1783220978	Mcule
DTXSID90173757	EPA CompTox Dashboard
Q44	PDBe
50325823	BindingDB
CHEMBL1224659	ChEMBL
1944851	eMolecules
8318843	eMolecules
36750818	eMolecules
713771	eMolecules
30152471	eMolecules
The data in this table is sourced from UniChem at EBI.