ACCESSION: MSBNK-Waters-WA000282
RECORD_TITLE: Protriptyline; 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$NAME: Protriptyline
CH$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 45 V

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

PK$SPLASH: splash10-0900-0890000000-e648c1faea5805c47303
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  105 145 145
  117 337 337
  118 20 20
  129 55 55
  155 529 529
  156 55 55
  178 43 43
  179 39 39
  191 447 447
  192 63 63
  205 74 74
  206 12 12
  218 39 39
  231 16 16
  233 392 392
  234 63 63
  264 999 999
  265 172 172
  266 16 16
  296 16 16
//