Dataset

N-ACETYLPROLINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P102301_EF88 contains the MS2 mass spectrum of N-ACETYLPROLINE with the InChIkey GNMSLDIYJOSUSW-LURJTMIESA-N.

Chemical Info

InChI	InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
SMILES	[H][C@]1(CCCN1C(C)=O)C(O)=O
InChI Key	GNMSLDIYJOSUSW-LURJTMIESA-N
Molecular Formula	C7H11NO3
Exact Mass	157.074 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P102301_EF88
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:29:49.086663
MetadataModified	2024-01-11T09:29:49.284587
MetadataPublished	2021-12-14

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
66141	PubChem
PD016174	ProbesDrugs
256826	Brenda
CC8XZ138VZ	FDA SRS
15934763	PubChem: Thomson Pharma
68-95-1	ACToR
1074-79-9	ACToR
SCHEMBL358379	SureChEMBL
6245-57-4	ACToR
LIPLOP	CCDC
J25.970E	Nikkaji
DB03360	DrugBank
ZINC000000119664	ZINC
MCULE-9915147289	Mcule
57231	Brenda
CB0481658	ChemicalBook
47386	Brenda
HMDB0094701	Human Metabolome Database
N7P	PDBe
CHEMBL1234599	ChEMBL
21560	ChEBI
719392	eMolecules
The data in this table is sourced from UniChem at EBI.