MassBank Record: WA000978



 Desmethylcitalopram; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000978
RECORD_TITLE: Desmethylcitalopram; LC-ESI-Q; MS; POS; 60 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$NAME: Desmethylcitalopram CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H19FN2O CH$EXACT_MASS: 310.14814 CH$SMILES: CNCCCC(O1)(c(c3)ccc(F)c3)c(c2)c(cc(C#N)c2)C1 CH$IUPAC: InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3/t19-/m0/s1 CH$LINK: CAS 144010-85-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.450 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0950000000-cd4504c68ec09162bcce PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 109 999 999 110 39 39 116 102 102 121 8 8 123 16 16 129 8 8 140 8 8 144 8 8 150 78 78 154 16 16 156 24 24 157 51 51 166 59 59 184 8 8 215 12 12 218 8 8 221 55 55 222 35 35 227 24 24 234 141 141 235 47 47 236 24 24 238 24 24 242 39 39 246 8 8 247 94 94 248 16 16 250 24 24 260 8 8 262 223 223 263 35 35 293 67 67 294 12 12 311 43 43 312 8 8 //