MassBank Record: PB000345



 Nicotinoylcholine; LC-ESI-QTOF; MS2; CE:40 eV; M+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000345
RECORD_TITLE: Nicotinoylcholine; LC-ESI-QTOF; MS2; CE:40 eV; M+
DATE: 2016.01.19 (Created 2008.04.18, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 231
COMMENT: CONFIDENCE: confident structure

CH$NAME: Nicotinoylcholine CH$NAME: trimethyl-[2-(pyridine-3-carbonyloxy)ethyl]azanium CH$COMPOUND_CLASS: Natural Product; choline ester CH$FORMULA: C11H17N2O2+ CH$EXACT_MASS: 209.12900 CH$SMILES: C[N+](C)(C)CCOC(=O)C1=CN=CC=C1 CH$IUPAC: InChI=1S/C11H17N2O2/c1-13(2,3)7-8-15-11(14)10-5-4-6-12-9-10/h4-6,9H,7-8H2,1-3H3/q+1 CH$LINK: INCHIKEY ZMPGJEYFRZCHQC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:199845
AC$INSTRUMENT: API QSTAR Pulsar i AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE M+
PK$SPLASH: splash10-0a4i-1900000000-d1fa419e0ddb410025fc PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 78.034 1894.749 188 106.029 10000.000 999 150.052 1583.131 157 //