MassBank Record: WA000626



 Timolol; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
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ACCESSION: WA000626
RECORD_TITLE: Timolol; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 29023-48-1 CH$LINK: INCHIKEY BLJRIMJGRPQVNF-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID4023674
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 11.580 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000f-0950000000-c04eba6c5c1f4bd0d344 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 101 16 16 103 55 55 112 12 12 113 215 215 114 16 16 115 27 27 116 24 24 118 12 12 120 20 20 127 12 12 128 12 12 130 43 43 131 12 12 132 16 16 144 407 407 145 137 137 146 12 12 154 16 16 158 31 31 159 47 47 161 8 8 167 20 20 170 12 12 172 67 67 174 12 12 180 8 8 186 12 12 188 999 999 189 63 63 190 74 74 198 16 16 200 71 71 202 8 8 210 8 8 211 8 8 214 12 12 218 12 12 229 8 8 243 55 55 244 756 756 245 71 71 246 47 47 261 298 298 262 20 20 263 8 8 264 8 8 276 8 8 283 8 8 287 12 12 317 67 67 318 16 16 319 8 8 //

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