ACCESSION: MSBNK-Waters-WA000476
RECORD_TITLE: Pizotifen; 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$NAME: Pizotifen
CH$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 90 V

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

PK$SPLASH: splash10-016r-0910000000-69dd7a582fb299fb63a2
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  103 63 63
  104 16 16
  105 110 110
  106 12 12
  109 20 20
  111 141 141
  115 999 999
  116 129 129
  117 215 215
  118 74 74
  119 12 12
  121 39 39
  123 208 208
  124 12 12
  125 20 20
  127 24 24
  128 572 572
  129 360 360
  130 27 27
  131 24 24
  132 12 12
  134 43 43
  135 35 35
  137 67 67
  141 353 353
  142 63 63
  143 71 71
  144 12 12
  145 24 24
  147 55 55
  149 16 16
  152 74 74
  153 145 145
  154 106 106
  155 180 180
  156 39 39
  161 20 20
  162 35 35
  165 740 740
  166 368 368
  167 110 110
  168 24 24
  169 16 16
  170 20 20
  171 31 31
  178 278 278
  179 153 153
  180 24 24
  181 16 16
  184 243 243
  185 94 94
  186 16 16
  189 55 55
  190 114 114
  191 251 251
  192 118 118
  193 35 35
  197 208 208
  198 98 98
  199 133 133
  200 12 12
  202 63 63
  203 204 204
  204 141 141
  205 118 118
  206 27 27
  208 24 24
  209 82 82
  210 86 86
  211 90 90
  212 20 20
  215 12 12
  217 20 20
  219 39 39
  220 12 12
  221 39 39
  222 24 24
  223 110 110
  224 43 43
  225 27 27
  235 24 24
  237 20 20
  296 31 31
//