ACCESSION: MSBNK-Waters-WA002923
RECORD_TITLE: 4-Hydroxypropranolol; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 4-Hydroxypropranolol
CH$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 75 V

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

PK$SPLASH: splash10-016r-0900000000-896e5f002bf381ad388f
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  100 266 266
  101 16 16
  102 51 51
  103 333 333
  105 744 744
  106 35 35
  115 999 999
  116 223 223
  117 552 552
  118 157 157
  121 12 12
  127 67 67
  128 787 787
  129 208 208
  131 458 458
  132 74 74
  133 110 110
  134 16 16
  141 78 78
  142 24 24
  143 192 192
  144 157 157
  145 666 666
  146 67 67
  147 12 12
  149 8 8
  152 294 294
  153 317 317
  154 20 20
  155 121 121
  156 59 59
  157 102 102
  158 8 8
  159 153 153
  160 200 200
  161 86 86
  162 8 8
  163 8 8
  168 67 67
  169 43 43
  170 12 12
  171 157 157
  172 63 63
  173 313 313
  174 43 43
  181 110 110
  182 12 12
  184 71 71
  185 12 12
  186 20 20
  187 12 12
  194 8 8
  197 12 12
  198 16 16
  199 31 31
  200 24 24
  207 12 12
  214 16 16
  276 498 498
  277 55 55
  290 12 12
//