MassBank Record: KO002178



 Acetylcholine; LC-ESI-QQ; MS2; CE:10 V; M+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002178
RECORD_TITLE: Acetylcholine; LC-ESI-QQ; MS2; CE:10 V; M+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A060

CH$NAME: Acetylcholine CH$NAME: O-Acetylcholine CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H16NO2 CH$EXACT_MASS: 146.11810 CH$SMILES: CC(=O)OCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 CH$LINK: CAS 51-84-3 CH$LINK: CHEBI 15355 CH$LINK: CHEMPDB ACH CH$LINK: KEGG C01996 CH$LINK: NIKKAJI J4.127K CH$LINK: PUBCHEM SID:5093
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$SPLASH: splash10-0002-1900000000-2da10e016ac539b6e981 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 50.300 722773.0 3 60.000 1960398.0 7 72.200 24752.5 1 78.100 381188.5 1 81.200 34653.5 1 81.900 89109.0 1 82.900 54455.5 1 85.900 39604.0 1 87.000 30688149.5 114 93.300 24752.5 1 94.300 14851.5 1 96.900 19802.0 1 105.400 19802.0 1 110.000 99010.0 1 111.200 613862.0 2 114.000 262376.5 1 117.000 64356.5 1 127.600 49505.0 1 129.100 3896043.5 15 146.100 268133931.5 999 //