MassBank Record: KO002182



 Acetylcholine; LC-ESI-QQ; MS2; CE:50 V; M+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002182
RECORD_TITLE: Acetylcholine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$SPLASH: splash10-0006-9000000000-9ac44e29bdfbddf1b90d PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 43.100 6485155.0 999 45.200 128713.0 20 55.100 19802.0 3 56.000 69307.0 11 58.200 876238.5 135 59.200 84158.5 13 60.000 297030.0 46 70.000 39604.0 6 71.100 89109.0 14 87.200 1242575.5 191 //