ACCESSION: MSBNK-Waters-WA001947
RECORD_TITLE: Carteolol; 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$NAME: Carteolol
CH$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 90 V

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

PK$SPLASH: splash10-00xr-0900000000-a8c7b867d4782ad9b343
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  102 8 8
  103 227 227
  104 137 137
  105 282 282
  106 118 118
  107 24 24
  108 43 43
  109 12 12
  110 239 239
  111 31 31
  115 231 231
  116 161 161
  117 349 349
  118 411 411
  119 63 63
  120 118 118
  121 8 8
  122 999 999
  123 55 55
  124 8 8
  128 94 94
  129 43 43
  130 208 208
  131 90 90
  132 137 137
  133 349 349
  134 137 137
  135 24 24
  136 71 71
  142 12 12
  143 71 71
  144 74 74
  145 55 55
  146 239 239
  147 27 27
  148 67 67
  155 8 8
  156 16 16
  157 35 35
  158 67 67
  159 27 27
  160 90 90
  161 129 129
  162 161 161
  163 8 8
  164 98 98
  169 8 8
  172 12 12
  174 39 39
  176 39 39
  190 24 24
  202 16 16
  237 27 27
  293 235 235
  294 31 31
//