ACCESSION: MSBNK-Waters-WA002922
RECORD_TITLE: 4-Hydroxypropranolol; 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$NAME: 4-Hydroxypropranolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₁NO₃
CH$EXACT_MASS: 275.15214
CH$SMILES: CC(C)NCC(O)COc(c1)c(c2)c(ccc2)c(O)c1
CH$IUPAC: InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3
CH$LINK: CAS 69499-28-1
CH$LINK: INCHIKEY CWEPACWBWIOYID-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70893062

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 11.200 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$SPLASH: splash10-016r-0900000000-37c706bd79bc9bed8660
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  100 16 16
  102 27 27
  103 227 227
  105 313 313
  106 8 8
  115 999 999
  116 110 110
  117 125 125
  118 231 231
  119 20 20
  126 24 24
  127 94 94
  128 466 466
  129 67 67
  130 8 8
  131 180 180
  132 43 43
  133 16 16
  134 8 8
  136 8 8
  141 47 47
  142 20 20
  143 20 20
  144 98 98
  145 161 161
  146 8 8
  152 243 243
  153 74 74
  155 59 59
  156 43 43
  157 12 12
  159 12 12
  160 31 31
  161 8 8
  168 35 35
  169 24 24
  171 31 31
  172 27 27
  173 24 24
  184 8 8
  192 8 8
  276 251 251
  277 24 24
  290 12 12
//