ACCESSION: MSBNK-Waters-WA000981
RECORD_TITLE: Clomipramine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-004l-0090000000-23ae45566e67326476c5
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  125 12 12
  130 12 12
  144 12 12
  158 12 12
  178 12 12
  179 12 12
  180 8 8
  191 8 8
  192 78 78
  193 12 12
  194 16 16
  195 16 16
  204 12 12
  206 86 86
  207 231 231
  208 35 35
  209 24 24
  212 8 8
  214 20 20
  217 8 8
  218 12 12
  220 212 212
  221 27 27
  224 8 8
  227 999 999
  228 110 110
  229 368 368
  230 43 43
  232 27 27
  233 8 8
  234 59 59
  235 71 71
  236 12 12
  242 568 568
  243 74 74
  244 212 212
  245 24 24
  250 12 12
  254 24 24
  256 8 8
  270 20 20
  272 8 8
  315 12 12
//