Dataset

N-(3-METHYLBUTYL)ACETAMIDE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007637 contains the MS mass spectrum of N-(3-METHYLBUTYL)ACETAMIDE with the InChIkey XWDCLPNMPBQWCW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H15NO/c1-6(2)4-5-8-7(3)9/h6H,4-5H2,1-3H3,(H,8,9)
SMILES CC(C)CCNC(C)=O
InChI Key XWDCLPNMPBQWCW-UHFFFAOYSA-N
Molecular Formula C7H15NO
Exact Mass 129.115 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP007637
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:14.277638
MetadataModified 2024-01-11T15:57:14.452157
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4351818 eMolecules
DTXSID10158662 EPA CompTox Dashboard
166455 ChEBI
ZINC000001583155 ZINC
CB8304748 ChemicalBook
70067666 NMRShiftDB
B07X8XNE8T FDA SRS
13434-12-3 ACToR
50127353 PubChem: Thomson Pharma
98643 PubChem
J47.186K Nikkaji
SCHEMBL800814 SureChEMBL
The data in this table is sourced from UniChem at EBI.