Dataset

LID_p_251.1752_13.6; LC-ESI-QFT; MS2; CE: 55%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET402801 contains the MS2 mass spectrum of LID_p_251.1752_13.6 with the InChIkey YDVXPJXUHRROBA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H22N2O2/c1-5-16(18,6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)
SMILES CC[N+](CC)(CC(=O)NC1=C(C=CC=C1C)C)[O-]
InChI Key YDVXPJXUHRROBA-UHFFFAOYSA-N
Molecular Formula C14H22N2O2
Exact Mass 250.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ET402801
Version
Author
Maintainer
Language
MetadataPublished 2020-12-17
Related Molecule
  • 2-(2,6-dimethylanilino)-N,N-diethyl-2-oxoethanamine oxide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:167782 chebi
    6248428 surechembl
    3036923 pubchem
    25797M378Y fdasrs
    11803 gtopdb
    PD164347 probes_and_drugs
    KELXEH CCDC
    126335 brenda
    Molport-046-426-939 molport
    Molport-049-227-535 molport
    The data in this table is sourced from UniChem at EBI.