Dataset

N-ACETYLASPARAGINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101103_F638 contains the MS2 mass spectrum of N-ACETYLASPARAGINE with the InChIkey HXFOXFJUNFFYMO-BYPYZUCNSA-N.

Chemical Info

InChI	InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1
SMILES	CC(=O)N[C@@H](CC(N)=O)C(O)=O
InChI Key	HXFOXFJUNFFYMO-BYPYZUCNSA-N
Molecular Formula	C6H10N2O4
Exact Mass	174.064 g/mol

Data and Resources

N-ACETYLASPARAGINEHTML
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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101103_F638
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:30:10.860693
MetadataModified	2024-01-11T09:30:11.036465
MetadataPublished	2021-12-15

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J217.850H	Nikkaji
LISJIK	CCDC
SCHEMBL468797	SureChEMBL
HY-W016798	MedChemExpress
D0P42N84Z6	FDA SRS
4033-40-3	ACToR
CHEMBL4778641	ChEMBL
PD098744	ProbesDrugs
474643	eMolecules
ZINC000003137564	ZINC
6135	Brenda
MCULE-4594531393	Mcule
CB3404702	ChemicalBook
139582	ChEBI
164545	Brenda
25565	Brenda
HMDB0006028	Human Metabolome Database
144767	Brenda
48048	Brenda
94189	Brenda
99715	PubChem
The data in this table is sourced from UniChem at EBI.