ACCESSION: MSBNK-Waters-WA000982
RECORD_TITLE: Clomipramine; 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$NAME: Clomipramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₃ClN₂
CH$EXACT_MASS: 314.15498
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
CH$LINK: CAS 303-49-1
CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022844

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 14.800 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$SPLASH: splash10-0006-0090000000-e1a62b7ca88162b861d7
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  102 8 8
  158 12 12
  192 12 12
  195 12 12
  206 20 20
  207 106 106
  208 16 16
  209 8 8
  214 12 12
  218 8 8
  220 153 153
  221 20 20
  224 16 16
  225 8 8
  227 357 357
  228 35 35
  229 137 137
  230 20 20
  232 35 35
  233 20 20
  234 51 51
  235 196 196
  236 27 27
  242 999 999
  243 125 125
  244 345 345
  245 39 39
  246 12 12
  252 8 8
  254 8 8
  255 20 20
  256 8 8
  257 8 8
  265 8 8
  268 12 12
  270 114 114
  271 16 16
  272 43 43
  273 20 20
  290 12 12
  315 133 133
  316 24 24
  317 51 51
  318 8 8
  335 12 12
//