MassBank Record: WA000980



 Clomipramine; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: 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 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 //