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MassBank Record: WA000277

Propoxyphene; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA000277
RECORD_TITLE: Propoxyphene; 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$NAME: Propoxyphene
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H29NO2
CH$EXACT_MASS: 339.21983
CH$SMILES: CCC(=O)OC(Cc(c2)cccc2)(c(c1)cccc1)C([H])(C)CN(C)C
CH$IUPAC: InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1
CH$LINK: CAS 469-62-5
CH$LINK: INCHIKEY XLMALTXPSGQGBX-GCJKJVERSA-N
CH$LINK: COMPTOX DTXSID1023524

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 14.180 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$SPLASH: splash10-00kf-0961000000-7ffb9657cee6d6c2e145
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  105 231 231
  117 24 24
  128 90 90
  129 35 35
  131 8 8
  143 999 999
  144 94 94
  145 16 16
  181 59 59
  192 16 16
  193 8 8
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  221 43 43
  223 8 8
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  265 47 47
  266 901 901
  267 165 165
  268 12 12
  284 8 8
  296 27 27
  340 266 266
  341 59 59
  342 8 8
//

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