Dataset

Diacetolol; LC-ESI-Q; MS; POS; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA001687 contains the MS mass spectrum of Diacetolol with the InChIkey AWOGXJOBNAWQSF-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)
SMILES CC(C)NCC(O)COc(c1)c(C(C)=O)cc(NC(C)=O)c1
InChI Key AWOGXJOBNAWQSF-UHFFFAOYSA-N
Molecular Formula C16H24N2O4
Exact Mass 308.174 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001687
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28197-69-5 ACToR
    22568-64-5 ACToR
    CHEMBL2110821 ChEMBL
    14776458 PubChem: Thomson Pharma
    PD074828 ProbesDrugs
    SCHEMBL828479 SureChEMBL
    J11.495B Nikkaji
    HMDB0251120 Human Metabolome Database
    4ER0CZ5G7C FDA SRS
    CB7908172 ChemicalBook
    50894 PubChem
    The data in this table is sourced from UniChem at EBI.