ACCESSION: MSBNK-Waters-WA000979
RECORD_TITLE: Desmethylcitalopram; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 144010-85-5
CH$LINK: INCHIKEY PTJADDMMFYXMMG-IBGZPJMESA-N

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 13.450 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, 90 V

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

PK$SPLASH: splash10-0a4i-0960000000-8e9b007a1a48d014ecb3
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  103 8 8
  109 999 999
  110 39 39
  116 118 118
  117 8 8
  121 16 16
  123 16 16
  124 12 12
  128 8 8
  129 31 31
  130 12 12
  133 16 16
  140 43 43
  141 8 8
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  146 8 8
  150 67 67
  154 20 20
  156 16 16
  157 51 51
  159 8 8
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  167 8 8
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  203 8 8
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  208 12 12
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  220 35 35
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  223 12 12
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  228 16 16
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  235 59 59
  236 20 20
  238 20 20
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  246 74 74
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  248 24 24
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  263 12 12
  293 8 8
  311 16 16
//