ACCESSION: MSBNK-Waters-WA001616
RECORD_TITLE: Bupropion; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Bupropion
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈ClNO
CH$EXACT_MASS: 239.10769
CH$SMILES: CC(C)(C)NC(C)C(=O)c(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
CH$LINK: CAS 34911-55-2
CH$LINK: INCHIKEY SNPPWIUOZRMYNY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022706

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 13.170 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 30 V

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

PK$SPLASH: splash10-00lr-0900000000-4c9a3b22bbdf25c1fc74
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  100 12 12
  131 90 90
  132 12 12
  139 20 20
  165 8 8
  166 341 341
  167 192 192
  168 118 118
  169 59 59
  184 999 999
  185 98 98
  186 321 321
  187 31 31
  225 16 16
  240 90 90
  241 16 16
  242 31 31
//