ACCESSION: MSBNK-Waters-WA000478
RECORD_TITLE: Pizotifen; 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$NAME: Pizotifen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁NS
CH$EXACT_MASS: 295.13947
CH$SMILES: CN(C4)CCC(C4)=C(c21)c(c3)c(sc3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3
CH$LINK: CAS 15574-96-6
CH$LINK: INCHIKEY FIADGNVRKBPQEU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023490

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 14.650 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$SPLASH: splash10-0002-0960000000-c83148ee37dfe727c45f
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  105 51 51
  111 137 137
  114 12 12
  115 165 165
  116 12 12
  117 110 110
  118 20 20
  123 172 172
  124 16 16
  125 35 35
  128 35 35
  129 192 192
  131 16 16
  137 86 86
  138 12 12
  141 98 98
  143 86 86
  149 12 12
  153 16 16
  154 16 16
  155 149 149
  156 20 20
  162 16 16
  165 145 145
  166 106 106
  167 43 43
  169 55 55
  178 20 20
  179 39 39
  180 12 12
  181 12 12
  184 31 31
  185 98 98
  186 12 12
  191 78 78
  192 27 27
  193 20 20
  197 51 51
  198 106 106
  199 588 588
  200 82 82
  201 39 39
  203 35 35
  204 59 59
  205 78 78
  206 20 20
  207 12 12
  211 27 27
  212 35 35
  213 12 12
  217 31 31
  218 16 16
  219 82 82
  220 39 39
  221 16 16
  223 16 16
  224 24 24
  225 67 67
  231 12 12
  235 12 12
  236 20 20
  237 20 20
  239 24 24
  251 71 71
  252 12 12
  253 43 43
  265 12 12
  296 999 999
  297 204 204
  298 55 55
//