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MassBank Record: WA000276

Propoxyphene; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA000276
RECORD_TITLE: Propoxyphene; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-054o-0900000000-14796e7eb4416023ebf8
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  103 78 78
  105 595 595
  106 24 24
  115 114 114
  117 106 106
  127 8 8
  128 784 784
  129 121 121
  131 24 24
  132 35 35
  141 31 31
  143 999 999
  144 102 102
  145 35 35
  155 12 12
  165 8 8
  166 51 51
  167 20 20
  178 20 20
  179 51 51
  181 110 110
  182 8 8
  191 8 8
  192 24 24
  193 8 8
  195 8 8
  206 12 12
  219 24 24
  221 12 12
  223 8 8
  266 90 90
  267 16 16
  340 43 43
  341 16 16
//

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