ACCESSION: MSBNK-Waters-WA001949
RECORD_TITLE: Carteolol; 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$NAME: Carteolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₄N₂O₃
CH$EXACT_MASS: 292.17869
CH$SMILES: OC(CNC(C)(C)C)COc(c2)c(C1)c(cc2)NC(=O)C1
CH$IUPAC: InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
CH$LINK: CAS 51781-06-7
CH$LINK: INCHIKEY LWAFSWPYPHEXKX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3022746

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 10.590 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$SPLASH: splash10-0ir0-0930000000-70595326ee91b7500856
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  103 8 8
  106 8 8
  110 8 8
  114 8 8
  115 8 8
  117 12 12
  118 20 20
  120 24 24
  122 595 595
  123 39 39
  129 8 8
  130 16 16
  131 8 8
  132 71 71
  133 16 16
  134 82 82
  135 8 8
  136 51 51
  146 98 98
  147 16 16
  148 133 133
  149 16 16
  158 27 27
  160 278 278
  161 59 59
  162 114 114
  163 8 8
  164 878 878
  165 67 67
  174 415 415
  175 43 43
  176 184 184
  177 12 12
  184 8 8
  190 396 396
  191 39 39
  200 8 8
  202 999 999
  203 114 114
  204 12 12
  220 20 20
  231 8 8
  237 270 270
  238 24 24
  293 161 161
  294 20 20
//