ACCESSION: MSBNK-Waters-WA001220
RECORD_TITLE: Pindolol; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 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
//