ACCESSION: MSBNK-Waters-WA000281
RECORD_TITLE: Protriptyline; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-052f-0920000000-26a54d297be52eb2a241
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  103 12 12
  105 196 196
  115 35 35
  117 411 411
  118 31 31
  129 121 121
  141 24 24
  153 31 31
  155 580 580
  156 63 63
  167 12 12
  178 133 133
  179 86 86
  191 999 999
  192 168 168
  193 24 24
  203 55 55
  204 67 67
  205 184 184
  206 27 27
  217 12 12
  218 121 121
  219 20 20
  231 31 31
  233 129 129
  234 20 20
  264 114 114
  265 20 20
//