ACCESSION: MSBNK-Waters-WA001110
RECORD_TITLE: Propranolol; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Propranolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₁NO₂
CH$EXACT_MASS: 259.15723
CH$SMILES: CC(C)NCC(O)COc(c1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
CH$LINK: CAS 525-66-6
CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023525

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 12.650 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, 90 V

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

PK$SPLASH: splash10-05r0-0900000000-8b0b09f24c3e5410d63f
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  100 94 94
  101 8 8
  115 505 505
  116 180 180
  117 200 200
  127 235 235
  128 599 599
  129 999 999
  130 12 12
  140 12 12
  141 82 82
  143 35 35
  144 24 24
  145 427 427
  146 31 31
  152 27 27
  153 368 368
  154 114 114
  155 729 729
  156 71 71
  157 317 317
  158 35 35
  165 247 247
  166 31 31
  168 172 172
  169 35 35
  171 16 16
  181 16 16
  182 20 20
  183 78 78
  184 8 8
  260 129 129
  261 31 31
//