MassBank Record: KO002631



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

ACCESSION: KO002631
RECORD_TITLE: Clonidine; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 230 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-6900000000-ce531320f1fda74d127e PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 42.000 44554.5 23 44.200 1940596.0 999 54.400 29703.0 15 55.300 29703.0 15 57.500 14851.5 8 59.000 49505.0 25 69.200 173267.5 89 80.100 29703.0 15 81.300 19802.0 10 86.800 44554.5 23 90.200 34653.5 18 91.000 188119.0 97 92.800 19802.0 10 99.800 79208.0 41 104.100 29703.0 15 104.800 39604.0 20 109.100 237624.0 122 114.400 29703.0 15 118.100 89109.0 46 119.300 54455.5 28 124.100 415842.0 214 125.700 19802.0 10 130.200 39604.0 20 130.900 69307.0 36 132.100 84158.5 43 132.700 252475.5 130 136.200 207921.0 107 140.100 64356.5 33 141.000 212871.5 110 142.400 89109.0 46 145.200 306931.0 158 150.900 118812.0 61 151.900 128713.0 66 153.100 49505.0 25 158.200 94059.5 48 159.800 376238.0 194 160.400 64356.5 33 165.500 14851.5 8 167.000 49505.0 25 168.200 133663.5 69 170.300 64356.5 33 171.200 39604.0 20 172.200 153465.5 79 183.400 14851.5 8 185.100 64356.5 33 186.100 74257.5 38 187.100 158416.0 82 193.900 84158.5 43 194.400 69307.0 36 213.300 133663.5 69 230.000 29703.0 15 //