MassBank Record: MSBNK-Waters-WA001952

Carteolol; LC-ESI-Q; MS; POS; 15 V

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ACCESSION: MSBNK-Waters-WA001952
RECORD_TITLE: Carteolol; LC-ESI-Q; MS; POS; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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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

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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 15 V

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

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PK$SPLASH: splash10-0006-0090000000-9979e0b11dc04bdba094
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  293 999 999
  294 180 180
  295 12 12
//