MassBank Record: WA000983



 Clomipramine; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000983
RECORD_TITLE: Clomipramine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 303-49-1
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 14.800 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0069000000-8cee941931fdb4f4fa3b PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 220 27 27 224 8 8 227 16 16 229 8 8 230 8 8 232 12 12 233 16 16 234 20 20 235 86 86 236 12 12 242 435 435 243 27 27 244 153 153 245 20 20 252 8 8 255 8 8 268 20 20 270 282 282 271 43 43 272 98 98 273 12 12 290 16 16 292 8 8 297 12 12 315 999 999 316 168 168 317 384 384 318 59 59 319 8 8 320 8 8 335 86 86 336 16 16 337 31 31 338 20 20 351 12 12 366 20 20 //