MassBank Record: KO002181



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

ACCESSION: KO002181
RECORD_TITLE: Acetylcholine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$SPLASH: splash10-000l-9000000000-41b87d773c58129802e9 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 40.900 34653.5 3 42.200 19802.0 2 43.100 9539613.5 759 45.100 133663.5 11 55.200 103960.5 8 56.100 49505.0 4 58.100 589109.5 47 59.000 143564.5 11 60.300 965347.5 77 64.700 14851.5 1 69.000 39604.0 3 69.700 69307.0 6 71.000 336634.0 27 77.200 19802.0 2 85.500 29703.0 2 87.000 12559418.5 999 //