Dataset

METHYL4-AMINOBUTYRATE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101702_F638 contains the MS2 mass spectrum of METHYL4-AMINOBUTYRATE with the InChIkey KVQGGLZHHFGHPU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
SMILES COC(CCCN)=O
InChI Key KVQGGLZHHFGHPU-UHFFFAOYSA-N
Molecular Formula C5H11NO2
Exact Mass 117.079 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101702_F638
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:21.304291
MetadataModified 2024-01-11T09:30:21.528832
MetadataPublished 2021-12-13
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
GVE PDBe
1013438 eMolecules
ZINC000002019854 ZINC
120677 Brenda
PD124082 ProbesDrugs
3251-07-8 ACToR
18614 PubChem
16056163 PubChem: Thomson Pharma
MCULE-2399653885 Mcule
42955 ChEBI
SCHEMBL380579 SureChEMBL
J65.856A Nikkaji
The data in this table is sourced from UniChem at EBI.