MassBank Record: KO002180



 Acetylcholine; LC-ESI-QQ; MS2; CE:30 V; M+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002180
RECORD_TITLE: Acetylcholine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M]+
PK$SPLASH: splash10-000i-9000000000-eb7d66198d7674cbbd2a PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 43.200 5113866.5 71 44.700 39604.0 1 55.300 138614.0 2 57.200 39604.0 1 58.100 54455.5 1 58.900 99010.0 1 60.100 1782180.0 25 61.000 24752.5 1 69.100 202970.5 3 71.300 212871.5 3 72.200 29703.0 1 76.900 29703.0 1 80.900 29703.0 1 83.100 143564.5 2 84.400 24752.5 1 85.400 39604.0 1 86.000 292079.5 4 87.200 72282250.5 999 94.700 9901.0 1 104.100 49505.0 1 114.200 34653.5 1 128.200 14851.5 1 146.400 59406.0 1 //