ACCESSION: MSBNK-Waters-WA000279
RECORD_TITLE: Protriptyline; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0006-0920000000-326d0a34c0f763fbcf76
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  103 35 35
  105 51 51
  115 247 247
  116 24 24
  117 94 94
  118 35 35
  127 20 20
  128 114 114
  129 74 74
  141 31 31
  145 16 16
  152 47 47
  153 82 82
  154 35 35
  155 82 82
  165 400 400
  166 51 51
  168 16 16
  176 16 16
  177 12 12
  178 321 321
  179 71 71
  189 431 431
  190 321 321
  191 999 999
  192 157 157
  193 16 16
  202 153 153
  203 341 341
  204 125 125
  205 51 51
  215 59 59
  216 24 24
  217 98 98
  218 39 39
  264 16 16
//