ACCESSION: MSBNK-Waters-WA000739
RECORD_TITLE: Nortryptyline; 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: CC BY-NC

CH$NAME: Nortryptyline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁N
CH$EXACT_MASS: 263.16740
CH$SMILES: CNCCC=C(c21)c(c3)c(ccc3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
CH$LINK: CAS 72-69-5
CH$LINK: INCHIKEY PHVGLTMQBUFIQQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023384

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 14.500 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 45 V

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

PK$SPLASH: splash10-0ce9-0980000000-ab753a9893a72d2d54a4
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  105 870 870
  106 39 39
  115 8 8
  117 733 733
  118 35 35
  129 78 78
  132 12 12
  141 27 27
  146 31 31
  155 212 212
  156 20 20
  178 55 55
  179 94 94
  180 8 8
  191 333 333
  192 55 55
  193 27 27
  203 8 8
  204 27 27
  205 141 141
  206 12 12
  207 31 31
  218 145 145
  219 20 20
  231 16 16
  233 999 999
  234 157 157
  235 12 12
  264 725 725
  265 110 110
  266 8 8
//