ACCESSION: MSBNK-Waters-WA001948
RECORD_TITLE: Carteolol; 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$NAME: Carteolol
CH$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 75 V

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

PK$SPLASH: splash10-0229-0900000000-905f3561edb625323b17
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  103 82 82
  104 12 12
  105 47 47
  106 43 43
  108 27 27
  110 90 90
  111 12 12
  115 63 63
  116 39 39
  117 98 98
  118 149 149
  119 24 24
  120 86 86
  122 999 999
  123 59 59
  128 24 24
  129 27 27
  130 74 74
  131 47 47
  132 133 133
  133 102 102
  134 114 114
  135 16 16
  136 110 110
  142 8 8
  143 20 20
  144 31 31
  145 12 12
  146 153 153
  147 31 31
  148 145 145
  149 12 12
  157 16 16
  158 71 71
  159 24 24
  160 196 196
  161 133 133
  162 149 149
  163 16 16
  164 286 286
  165 20 20
  172 8 8
  174 161 161
  175 16 16
  176 94 94
  177 8 8
  187 8 8
  190 106 106
  199 8 8
  202 125 125
  203 12 12
  237 24 24
  293 129 129
  294 20 20
//