MassBank Record: KO002568



 Carbachol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002568
RECORD_TITLE: Carbachol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C044

CH$NAME: Carbachol CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H15N2O2 CH$EXACT_MASS: 147.11335 CH$SMILES: NC(=O)OCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 CH$LINK: KEGG C07472 CH$LINK: PUBCHEM SID:9675
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9000000000-ff47502d7768da455159 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 44.200 59406.0 1 45.000 653466.0 2 55.100 89109.0 1 60.100 24277252.0 76 65.100 113861.5 1 70.100 49505.0 1 71.100 84158.5 1 72.000 39604.0 1 74.200 49505.0 1 80.800 39604.0 1 83.100 277228.0 1 84.200 84158.5 1 85.100 24752.5 1 86.300 2970300.0 9 88.100 321228044.0 999 104.100 732674.0 2 112.000 49505.0 1 115.200 198020.0 1 116.000 14851.5 1 129.800 54455.5 1 147.200 26361412.5 82 //