ACCESSION: MSBNK-Waters-WA000989
RECORD_TITLE: N-Desmethylclomipramine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: N-Desmethylclomipramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₁ClN₂
CH$EXACT_MASS: 300.13933
CH$SMILES: CNCCCN(c21)c(c3)c(ccc(Cl)3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3
CH$LINK: CAS 303-48-0
CH$LINK: INCHIKEY VPIXQGUBUKFLRF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70952663

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 14.750 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

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

PK$SPLASH: splash10-004l-0090000000-01d91c0d147b628094d0
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  106 8 8
  113 8 8
  118 8 8
  125 8 8
  130 12 12
  132 12 12
  144 12 12
  157 8 8
  158 12 12
  178 8 8
  179 16 16
  180 31 31
  181 8 8
  192 71 71
  193 24 24
  194 63 63
  195 59 59
  196 8 8
  206 86 86
  207 247 247
  208 43 43
  209 24 24
  210 8 8
  211 8 8
  212 16 16
  214 47 47
  216 12 12
  220 274 274
  221 31 31
  222 8 8
  223 8 8
  224 12 12
  227 999 999
  228 137 137
  229 388 388
  230 74 74
  231 16 16
  232 12 12
  233 8 8
  234 78 78
  235 110 110
  236 12 12
  240 12 12
  242 678 678
  243 67 67
  244 247 247
  245 24 24
  250 20 20
  251 12 12
  254 31 31
  255 8 8
  256 20 20
  265 12 12
  270 27 27
  272 12 12
  283 8 8
  301 55 55
  302 8 8
  303 16 16
//