ACCESSION: MSBNK-Waters-WA001221
RECORD_TITLE: Pindolol; LC-ESI-Q; MS; POS; 60 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 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0159-0900000000-eea0f9776e8e164da2a7
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  100 55 55
  104 39 39
  106 78 78
  107 8 8
  109 8 8
  114 27 27
  116 999 999
  117 149 149
  118 266 266
  119 20 20
  120 12 12
  122 12 12
  127 8 8
  129 8 8
  130 59 59
  132 133 133
  133 16 16
  134 576 576
  135 39 39
  136 8 8
  143 12 12
  144 435 435
  145 51 51
  146 302 302
  147 27 27
  148 47 47
  149 12 12
  150 16 16
  154 16 16
  155 12 12
  157 20 20
  158 12 12
  160 71 71
  161 12 12
  162 12 12
  170 12 12
  172 251 251
  173 35 35
  174 20 20
  175 8 8
  176 12 12
  186 8 8
  188 12 12
  203 24 24
  204 8 8
  221 12 12
  249 90 90
  250 12 12
//