ACCESSION: MSBNK-Waters-WA001980
RECORD_TITLE: Alprenolol; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Alprenolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₃NO₂
CH$EXACT_MASS: 249.17288
CH$SMILES: C=CCc(c1)c(ccc1)OCC(O)CNC(C)C
CH$IUPAC: InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
CH$LINK: CAS 13655-52-2
CH$LINK: INCHIKEY PAZJSJFMUHDSTF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0045127

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 13.600 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 45 V

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

PK$SPLASH: splash10-0gb9-0930000000-d7a849358961bb8bf5c2
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  100 12 12
  105 20 20
  107 71 71
  113 8 8
  114 20 20
  115 8 8
  116 999 999
  117 86 86
  119 110 110
  121 12 12
  129 12 12
  131 129 129
  132 43 43
  133 24 24
  135 16 16
  143 8 8
  144 8 8
  145 168 168
  146 8 8
  147 165 165
  148 16 16
  149 8 8
  155 20 20
  158 27 27
  161 24 24
  173 200 200
  174 24 24
  208 27 27
  232 16 16
  250 725 725
  251 106 106
  252 12 12
//