MassBank Record: KO002629



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

ACCESSION: KO002629
RECORD_TITLE: Clonidine; LC-ESI-QQ; MS2; CE:30 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 C191

CH$NAME: Clonidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9Cl2N3 CH$EXACT_MASS: 229.01735 CH$SMILES: Clc(c1)c(N=C(N2)NCC2)c(Cl)cc1 CH$IUPAC: InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14) CH$LINK: KEGG C06920 CH$LINK: PUBCHEM SID:9137
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 230 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0090000000-ccdeb1dfce0424b12c0c PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 44.000 782179.0 26 55.200 39604.0 1 57.000 59406.0 2 58.900 118812.0 4 68.900 292079.5 10 70.900 39604.0 1 73.300 44554.5 1 83.200 103960.5 3 85.200 34653.5 1 91.000 524753.0 18 93.200 24752.5 1 96.900 44554.5 1 106.800 24752.5 1 109.200 34653.5 1 112.000 59406.0 2 117.500 19802.0 1 118.900 207921.0 7 130.900 29703.0 1 134.800 34653.5 1 137.400 29703.0 1 139.000 133663.5 4 143.200 29703.0 1 144.300 19802.0 1 150.800 54455.5 2 153.100 103960.5 3 153.700 29703.0 1 157.800 69307.0 2 158.900 74257.5 2 159.800 54455.5 2 161.100 14851.5 1 162.000 257426.0 9 164.800 24752.5 1 167.000 34653.5 1 168.100 99010.0 3 168.600 14851.5 1 170.000 34653.5 1 171.800 222772.5 7 181.000 29703.0 1 185.400 277228.0 9 186.000 74257.5 2 187.000 306931.0 10 194.100 198020.0 7 195.400 361386.5 12 198.100 19802.0 1 200.600 29703.0 1 212.200 108911.0 4 213.100 5049510.0 169 229.100 39604.0 1 230.200 29841614.0 999 //