ACCESSION: MSBNK-Waters-WA002547
RECORD_TITLE: Papaverine; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Papaverine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₁NO₄
CH$EXACT_MASS: 339.14706
CH$SMILES: COc(c3)c(OC)cc(c3)Cc(n2)c(c1)c(cc2)cc(OC)c(OC)1
CH$IUPAC: InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
CH$LINK: CAS 58-74-2
CH$LINK: INCHIKEY XQYZDYMELSJDRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4023418

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 12.160 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 90 V

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

PK$SPLASH: splash10-00di-0973000000-9695a801004ddd639e94
PK$NUM_PEAK: 113
PK$PEAK: m/z int. rel.int.
  102 12 12
  103 78 78
  107 35 35
  108 16 16
  114 12 12
  115 114 114
  116 59 59
  117 31 31
  118 43 43
  119 12 12
  121 12 12
  123 141 141
  128 180 180
  129 43 43
  130 82 82
  131 137 137
  132 43 43
  133 27 27
  135 16 16
  136 12 12
  138 20 20
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  141 51 51
  142 98 98
  143 35 35
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  146 47 47
  147 24 24
  148 47 47
  151 20 20
  155 24 24
  156 239 239
  157 67 67
  158 298 298
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  160 74 74
  161 24 24
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  168 16 16
  170 51 51
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  173 24 24
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  175 94 94
  176 12 12
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  186 243 243
  187 247 247
  188 71 71
  189 78 78
  190 27 27
  192 12 12
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  204 24 24
  206 16 16
  208 20 20
  209 24 24
  210 27 27
  220 55 55
  221 31 31
  222 35 35
  223 24 24
  224 51 51
  225 16 16
  227 31 31
  233 16 16
  234 43 43
  235 59 59
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  239 24 24
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  241 31 31
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  267 43 43
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  297 24 24
  308 298 298
  309 118 118
  310 35 35
  322 31 31
  324 936 936
  325 188 188
  326 24 24
  340 24 24
//