MassBank Record: WA001220

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Pindolol; LC-ESI-Q; MS; POS; 75 V
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Chemical Structure
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ACCESSION: WA001220
RECORD_TITLE: Pindolol; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Pindolol CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H20N2O2 CH$EXACT_MASS: 248.15248 CH$SMILES: CC(C)NCC(COC1=CC=CC2=C1C=CN2)O CH$IUPAC: InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 CH$LINK: CAS 13523-86-9 CH$LINK: INCHIKEY JZQKKSLKJUAGIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023476
AC$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$CHROMATOGRAPHY: RETENTION_TIME 9.400 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0900000000-d37b43ffba5b1c56d5b2 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 100 55 55 103 35 35 104 333 333 105 102 102 106 513 513 107 204 204 108 8 8 109 20 20 110 12 12 115 204 204 116 748 748 117 693 693 118 658 658 119 55 55 120 43 43 121 12 12 122 27 27 123 8 8 127 47 47 128 35 35 129 31 31 130 118 118 131 20 20 132 192 192 133 176 176 134 999 999 135 78 78 136 12 12 138 12 12 142 24 24 143 165 165 144 737 737 145 102 102 146 235 235 147 24 24 148 102 102 149 31 31 150 16 16 154 39 39 155 63 63 156 8 8 157 94 94 158 27 27 159 20 20 160 63 63 161 12 12 162 8 8 168 8 8 170 31 31 171 16 16 172 102 102 173 20 20 174 16 16 176 12 12 185 8 8 187 8 8 203 8 8 249 102 102 250 16 16 265 12 12 //