ACCESSION: MSBNK-Waters-WA001111
RECORD_TITLE: Propranolol; 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$NAME: Propranolol
CH$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 60 V

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

PK$SPLASH: splash10-0aor-0900000000-c7cd9b82b37f02d01386
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  100 231 231
  101 8 8
  102 16 16
  103 8 8
  115 102 102
  116 999 999
  117 63 63
  128 59 59
  129 599 599
  130 20 20
  131 8 8
  132 8 8
  141 153 153
  142 8 8
  143 78 78
  144 8 8
  145 317 317
  146 31 31
  153 227 227
  154 51 51
  155 874 874
  156 59 59
  157 760 760
  158 71 71
  165 294 294
  166 35 35
  168 121 121
  169 24 24
  171 67 67
  172 8 8
  173 8 8
  181 12 12
  183 623 623
  184 35 35
  186 8 8
  201 8 8
  218 31 31
  219 8 8
  260 384 384
  261 59 59
  262 8 8
//