ACCESSION: MSBNK-Waters-WA000980
RECORD_TITLE: Clomipramine; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-004i-0290000000-1c848be444a7f8d65ba8
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  103 8 8
  115 8 8
  116 8 8
  117 16 16
  125 16 16
  130 20 20
  144 8 8
  158 8 8
  165 90 90
  166 16 16
  167 16 16
  177 8 8
  178 27 27
  179 35 35
  180 24 24
  181 8 8
  190 12 12
  191 63 63
  192 415 415
  193 71 71
  194 24 24
  201 31 31
  203 12 12
  204 39 39
  205 20 20
  206 180 180
  207 192 192
  208 39 39
  209 16 16
  212 20 20
  214 31 31
  216 12 12
  217 12 12
  218 20 20
  220 121 121
  221 16 16
  224 8 8
  226 43 43
  227 999 999
  228 141 141
  229 333 333
  230 47 47
  232 27 27
  233 12 12
  234 55 55
  235 20 20
  240 12 12
  242 165 165
  243 24 24
  244 51 51
  245 8 8
  250 8 8
  254 31 31
  256 8 8
//