ACCESSION: MSBNK-Waters-WA001219
RECORD_TITLE: Pindolol; 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: 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 90 V

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

PK$SPLASH: splash10-014i-0900000000-eeb90d84762a2691643f
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  101 8 8
  102 47 47
  103 106 106
  104 521 521
  105 274 274
  106 349 349
  107 349 349
  108 31 31
  109 8 8
  110 20 20
  111 8 8
  114 8 8
  115 505 505
  116 686 686
  117 999 999
  118 478 478
  119 43 43
  120 86 86
  121 20 20
  122 16 16
  126 8 8
  127 43 43
  128 59 59
  129 74 74
  130 141 141
  131 39 39
  132 63 63
  133 204 204
  134 400 400
  135 43 43
  136 8 8
  138 8 8
  141 12 12
  142 78 78
  143 212 212
  144 286 286
  145 71 71
  146 78 78
  147 16 16
  148 71 71
  149 12 12
  154 47 47
  155 35 35
  157 82 82
  158 12 12
  159 12 12
  160 20 20
  162 8 8
  166 8 8
  168 8 8
  170 31 31
  171 12 12
  172 35 35
  173 8 8
  189 8 8
  249 118 118
  250 20 20
  263 8 8
  265 16 16
//