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MassBank Record: WA002925

4-Hydroxypropranolol; LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002925
RECORD_TITLE: 4-Hydroxypropranolol; 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$NAME: 4-Hydroxypropranolol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H21NO3
CH$EXACT_MASS: 275.15214
CH$SMILES: CC(C)NCC(O)COc(c1)c(c2)c(ccc2)c(O)c1
CH$IUPAC: InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3
CH$LINK: CAS 69499-28-1
CH$LINK: INCHIKEY CWEPACWBWIOYID-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70893062

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 11.200 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$SPLASH: splash10-00vi-0940000000-bcd07ce8f806c3dbefc5
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  100 63 63
  102 31 31
  105 8 8
  113 8 8
  116 870 870
  117 47 47
  129 8 8
  132 27 27
  133 12 12
  134 184 184
  143 47 47
  145 39 39
  153 27 27
  157 110 110
  159 47 47
  160 8 8
  161 12 12
  171 157 157
  173 505 505
  174 51 51
  175 8 8
  181 55 55
  184 8 8
  185 8 8
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  197 8 8
  199 372 372
  200 43 43
  214 35 35
  215 16 16
  216 12 12
  234 27 27
  258 27 27
  276 999 999
  277 145 145
  278 16 16
//

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