MassBank Record: WA000624



 Timolol; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA000624
RECORD_TITLE: Timolol; LC-ESI-Q; MS; POS; 90 V
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$NAME: Timolol CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H24N4O3S CH$EXACT_MASS: 316.15691 CH$SMILES: OC(CNC(C)(C)C)COc(n2)c(ns2)N(C1)CCOC1 CH$IUPAC: InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 CH$LINK: CAS 29023-48-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.580 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-01ox-0900000000-f0d5a442274cb28b99ec PK$NUM_PEAK: 67 PK$PEAK: m/z int. rel.int. 100 78 78 101 157 157 102 59 59 103 31 31 108 16 16 110 8 8 111 35 35 113 740 740 115 24 24 117 51 51 119 20 20 123 24 24 125 20 20 126 20 20 127 110 110 128 82 82 129 31 31 130 55 55 132 12 12 133 12 12 136 16 16 138 12 12 139 16 16 140 20 20 141 16 16 144 999 999 145 168 168 146 74 74 154 31 31 155 16 16 157 12 12 158 51 51 159 20 20 160 20 20 161 8 8 167 27 27 169 12 12 170 24 24 173 8 8 177 8 8 179 8 8 182 12 12 187 8 8 188 141 141 189 16 16 190 12 12 192 8 8 194 8 8 202 12 12 213 16 16 214 12 12 217 8 8 220 12 12 225 12 12 239 12 12 241 8 8 244 27 27 245 8 8 251 8 8 265 12 12 269 12 12 285 12 12 286 8 8 317 94 94 318 12 12 319 12 12 337 8 8 //