ACCESSION: MSBNK-Waters-WA000280
RECORD_TITLE: Protriptyline; 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$NAME: Protriptyline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁N
CH$EXACT_MASS: 263.16740
CH$SMILES: CNCCCC(c21)c(c3)c(ccc3)C=Cc(cccc2)1
CH$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/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
CH$LINK: CAS 438-60-8
CH$LINK: INCHIKEY BWPIARFWQZKAIA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023535

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 14.200 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$SPLASH: splash10-0006-0920000000-cc659d7c2175df89c948
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  103 24 24
  105 94 94
  115 102 102
  117 200 200
  118 20 20
  128 20 20
  129 98 98
  141 24 24
  153 59 59
  154 16 16
  155 196 196
  156 20 20
  165 67 67
  178 176 176
  179 71 71
  189 43 43
  190 59 59
  191 999 999
  192 168 168
  193 20 20
  202 16 16
  203 161 161
  204 102 102
  205 106 106
  206 12 12
  215 12 12
  216 16 16
  217 51 51
  218 71 71
  219 12 12
  231 12 12
  233 12 12
  264 16 16
//