ACCESSION: MSBNK-Waters-WA002549
RECORD_TITLE: Papaverine; 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$NAME: Papaverine
CH$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 60 V

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

PK$SPLASH: splash10-0f6x-0059000000-ff1e134aa7ba4e8a7ed6
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  123 24 24
  171 106 106
  172 24 24
  175 12 12
  187 31 31
  202 972 972
  203 180 180
  204 16 16
  295 24 24
  296 86 86
  297 12 12
  308 12 12
  310 24 24
  324 419 419
  325 204 204
  326 27 27
  340 999 999
  341 259 259
  342 31 31
//