ACCESSION: MSBNK-Waters-WA001614
RECORD_TITLE: Bupropion; 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$NAME: Bupropion
CH$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 60 V

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

PK$SPLASH: splash10-001i-0900000000-d351c3062cda08991f9f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  103 357 357
  104 39 39
  111 8 8
  118 12 12
  130 431 431
  131 999 999
  132 114 114
  133 16 16
  139 176 176
  140 16 16
  141 59 59
  151 20 20
  153 8 8
  166 63 63
  167 31 31
  168 24 24
  169 12 12
//