MassBank Record: WA000191



 Imazaquin; 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: WA000191
RECORD_TITLE: Imazaquin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Imazaquin CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H17N3O3 CH$EXACT_MASS: 311.12699 CH$SMILES: OC(=O)c(c2)c(nc(c3)c(ccc3)2)C(N1)=NC(C)(C(C)C)C(=O)1 CH$IUPAC: InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23) CH$LINK: CAS 81335-37-7
AC$INSTRUMENT: QuattroPremier XE, Waters 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$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 312.1 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0f8j-3900000000-c6c0929b9e3cd34aeb9d PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 55 8 8 67 20 20 69 560 560 71 63 63 72 12 12 83 8 8 86 603 603 87 12 12 96 12 12 100 24 24 115 20 20 126 8 8 128 490 490 129 35 35 142 47 47 153 764 764 154 278 278 156 67 67 157 20 20 167 12 12 169 12 12 171 12 12 181 999 999 183 141 141 194 8 8 197 474 474 199 447 447 200 20 20 205 8 8 207 12 12 210 12 12 222 20 20 224 90 90 225 16 16 234 16 16 236 8 8 249 24 24 252 31 31 //