ACCESSION: MSBNK-Waters-WA002548
RECORD_TITLE: Papaverine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0fk9-0697000000-1b43e61b1f141734b26a
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  115 20 20
  123 71 71
  128 12 12
  131 16 16
  142 39 39
  143 12 12
  144 20 20
  145 16 16
  147 12 12
  148 31 31
  151 16 16
  155 12 12
  156 27 27
  157 20 20
  158 63 63
  159 43 43
  160 20 20
  161 12 12
  170 20 20
  171 521 521
  172 106 106
  173 12 12
  174 31 31
  175 43 43
  186 51 51
  187 121 121
  188 43 43
  189 16 16
  190 12 12
  202 999 999
  203 184 184
  204 16 16
  235 12 12
  236 16 16
  240 12 12
  249 24 24
  252 24 24
  254 12 12
  264 31 31
  266 31 31
  267 16 16
  278 16 16
  279 12 12
  280 55 55
  281 16 16
  282 55 55
  292 12 12
  294 55 55
  295 47 47
  296 188 188
  297 31 31
  308 47 47
  309 31 31
  310 39 39
  324 862 862
  325 227 227
  326 31 31
  340 227 227
  341 43 43
//