ACCESSION: MSBNK-Waters-WA000579
RECORD_TITLE: Desipramine; 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: CC BY-NC

CH$NAME: Desipramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₂N₂
CH$EXACT_MASS: 266.17830
CH$SMILES: CNCCCN(c21)c(c3)c(ccc3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
CH$LINK: CAS 50-47-5
CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022896

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 14.320 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 90 V

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

PK$SPLASH: splash10-0006-0910000000-2a03a4d98845ef181201
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  103 12 12
  105 12 12
  106 12 12
  115 20 20
  117 24 24
  118 47 47
  130 27 27
  132 12 12
  144 12 12
  152 12 12
  165 67 67
  166 35 35
  167 90 90
  168 12 12
  178 39 39
  179 27 27
  180 161 161
  181 31 31
  191 20 20
  192 176 176
  193 999 999
  194 266 266
  195 35 35
  196 12 12
  204 12 12
  206 55 55
  207 24 24
  208 149 149
  209 16 16
  220 55 55
  221 8 8
  234 8 8
  267 27 27
//