Dataset

Nicotinoylcholine; LC-ESI-QTOF; MS2; CE:55 eV; M+

This MassBank record with Accession MSBNK-IPB_Halle-PB000346 contains the MS2 mass spectrum of Nicotinoylcholine with the InChIkey ZMPGJEYFRZCHQC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H17N2O2/c1-13(2,3)7-8-15-11(14)10-5-4-6-12-9-10/h4-6,9H,7-8H2,1-3H3/q+1
SMILES C[N+](C)(C)CCOC(=O)C1=CN=CC=C1
InChI Key ZMPGJEYFRZCHQC-UHFFFAOYSA-N
Molecular Formula [C11H17N2O2]+
Exact Mass 209.129 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-IPB_Halle-PB000346
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • trimethyl-[2-(pyridine-3-carbonyloxy)ethyl]azanium
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:180967 chebi
    5968567 surechembl
    199845 pubchem
    The data in this table is sourced from UniChem at EBI.