ACCESSION: MSBNK-Waters-WA001950
RECORD_TITLE: Carteolol; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0f79-0290000000-6e24299c7539c86643b8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  115 8 8
  122 20 20
  130 8 8
  133 8 8
  160 24 24
  164 302 302
  165 27 27
  174 59 59
  176 71 71
  177 8 8
  190 121 121
  191 12 12
  202 748 748
  203 94 94
  220 16 16
  237 999 999
  238 125 125
  239 12 12
  278 12 12
  293 219 219
  294 35 35
//