ACCESSION: MSBNK-Waters-WA000477
RECORD_TITLE: Pizotifen; 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$NAME: Pizotifen
CH$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 75 V

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

PK$SPLASH: splash10-014i-0910000000-506f80351f7a0994f0b9
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  103 71 71
  105 172 172
  108 20 20
  109 24 24
  111 329 329
  112 20 20
  115 999 999
  116 114 114
  117 419 419
  118 51 51
  119 31 31
  121 31 31
  123 509 509
  124 31 31
  125 71 71
  128 376 376
  129 705 705
  130 59 59
  131 78 78
  132 16 16
  134 27 27
  135 78 78
  137 215 215
  138 12 12
  141 451 451
  142 63 63
  143 208 208
  144 31 31
  145 12 12
  147 51 51
  149 47 47
  152 35 35
  153 121 121
  154 121 121
  155 427 427
  156 71 71
  161 31 31
  162 71 71
  165 842 842
  166 533 533
  167 180 180
  168 35 35
  169 67 67
  170 39 39
  171 24 24
  173 12 12
  178 270 270
  179 172 172
  180 55 55
  181 31 31
  182 12 12
  184 239 239
  185 243 243
  186 35 35
  187 12 12
  189 16 16
  190 78 78
  191 309 309
  192 172 172
  193 90 90
  197 274 274
  198 196 196
  199 748 748
  200 102 102
  201 35 35
  202 55 55
  203 161 161
  204 243 243
  205 294 294
  206 51 51
  207 27 27
  209 47 47
  210 90 90
  211 121 121
  212 51 51
  213 16 16
  216 12 12
  217 63 63
  218 31 31
  219 137 137
  220 71 71
  221 43 43
  222 20 20
  223 118 118
  224 78 78
  225 98 98
  226 20 20
  234 12 12
  235 31 31
  236 27 27
  237 35 35
  238 31 31
  239 12 12
  248 12 12
  249 16 16
  251 20 20
  253 16 16
  296 176 176
  297 35 35
//