MassBank Record: WA000973



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

ACCESSION: WA000973
RECORD_TITLE: Citalopram; 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$NAME: Citalopram CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H21FN2O CH$EXACT_MASS: 324.16379 CH$SMILES: CN(C)CCCC(O1)(c(c3)ccc(F)c3)c(c2)c(cc(C#N)c2)C1 CH$IUPAC: InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1 CH$LINK: CAS 59729-33-8
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.500 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: splash10-056r-0869000000-a5bea31fbc37b84d4043 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 109 858 858 110 35 35 116 94 94 117 8 8 123 20 20 133 8 8 137 8 8 144 12 12 150 35 35 156 27 27 157 20 20 166 47 47 168 8 8 221 20 20 222 12 12 234 63 63 235 24 24 236 12 12 238 16 16 242 16 16 247 24 24 250 12 12 262 498 498 263 82 82 264 8 8 280 55 55 281 8 8 307 47 47 308 8 8 325 999 999 326 200 200 327 20 20 //