ACCESSION: MSBNK-Waters-WA001979
RECORD_TITLE: Alprenolol; LC-ESI-Q; MS; POS; 60 V, 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Alprenolol
CH$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 60 V, 75 V

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

PK$SPLASH: splash10-067i-0900000000-db1612f04dfe27353127
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  100 118 118
  103 59 59
  104 12 12
  105 321 321
  107 999 999
  108 47 47
  113 8 8
  114 8 8
  115 165 165
  116 952 952
  117 662 662
  118 51 51
  119 729 729
  120 39 39
  121 110 110
  127 12 12
  128 125 125
  129 137 137
  130 31 31
  131 607 607
  132 635 635
  133 133 133
  135 35 35
  137 8 8
  142 8 8
  143 24 24
  144 86 86
  145 474 474
  146 20 20
  147 404 404
  148 71 71
  149 12 12
  153 16 16
  155 71 71
  158 149 149
  159 16 16
  160 12 12
  161 27 27
  168 20 20
  173 172 172
  174 16 16
  208 12 12
  232 8 8
  240 8 8
  250 619 619
  251 86 86
  252 20 20
//