MassBank Record: KO002630



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

ACCESSION: KO002630
RECORD_TITLE: Clonidine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 230 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01po-6950000000-dd68628a46215027ef29 PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 44.100 2668319.5 999 54.900 39604.0 15 57.100 34653.5 13 59.100 188119.0 70 62.700 19802.0 7 69.100 272277.5 102 69.700 29703.0 11 73.000 14851.5 6 74.100 59406.0 22 80.700 29703.0 11 83.900 34653.5 13 88.400 9901.0 4 91.000 331683.5 124 93.900 64356.5 24 94.900 24752.5 9 98.800 34653.5 13 108.900 44554.5 17 111.200 29703.0 11 112.300 29703.0 11 113.000 14851.5 6 116.800 74257.5 28 118.400 49505.0 19 119.300 44554.5 17 123.400 24752.5 9 124.200 89109.0 33 126.000 54455.5 20 126.700 34653.5 13 130.800 49505.0 19 131.300 79208.0 30 131.900 118812.0 44 132.900 89109.0 33 135.900 148515.0 56 139.100 64356.5 24 140.200 59406.0 22 141.000 108911.0 41 142.300 49505.0 19 143.100 64356.5 24 144.000 69307.0 26 145.100 123762.5 46 151.200 232673.5 87 152.800 108911.0 41 155.900 19802.0 7 157.400 34653.5 13 158.400 103960.5 39 159.000 79208.0 30 160.000 584159.0 219 161.300 19802.0 7 163.800 19802.0 7 166.300 29703.0 11 166.900 69307.0 26 168.000 282178.5 106 169.500 29703.0 11 172.100 415842.0 156 178.500 54455.5 20 185.200 306931.0 115 186.200 292079.5 109 187.100 549505.5 206 194.100 440594.5 165 195.400 336634.0 126 213.000 1767328.5 662 230.200 1896041.5 710 //