ACCESSION: MSBNK-Waters-WA001314
RECORD_TITLE: Chlorpromazin; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Chlorpromazin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₉ClN₂S
CH$EXACT_MASS: 318.09575
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
CH$LINK: CAS 50-53-3
CH$LINK: INCHIKEY ZPEIMTDSQAKGNT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022808

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 15.200 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 75 V, 90 V

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

PK$SPLASH: splash10-03dj-0290000000-6bbdf87274575edc080c
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  102 20 20
  105 12 12
  106 12 12
  109 20 20
  117 24 24
  124 16 16
  130 8 8
  133 24 24
  136 35 35
  148 24 24
  149 16 16
  150 12 12
  154 27 27
  162 8 8
  164 8 8
  166 35 35
  167 102 102
  168 16 16
  170 12 12
  173 8 8
  177 8 8
  178 8 8
  179 12 12
  180 74 74
  182 47 47
  183 16 16
  184 12 12
  186 35 35
  187 12 12
  188 12 12
  189 8 8
  193 8 8
  194 27 27
  195 59 59
  196 239 239
  197 16 16
  198 188 188
  199 47 47
  200 71 71
  201 20 20
  202 12 12
  203 8 8
  204 12 12
  205 16 16
  206 55 55
  207 43 43
  209 20 20
  210 39 39
  211 204 204
  212 74 74
  213 47 47
  214 999 999
  215 251 251
  216 227 227
  217 24 24
  220 8 8
  222 35 35
  223 35 35
  224 43 43
  225 59 59
  226 20 20
  227 31 31
  228 133 133
  229 27 27
  230 24 24
  232 219 219
  233 121 121
  234 90 90
  235 55 55
  236 8 8
  237 20 20
  238 59 59
  239 176 176
  240 47 47
  241 35 35
  242 31 31
  243 8 8
  244 27 27
  246 239 239
  247 27 27
  248 98 98
  249 12 12
  251 8 8
  254 47 47
  255 102 102
  256 51 51
  257 16 16
  258 8 8
  259 8 8
  260 8 8
  262 12 12
  269 16 16
  272 43 43
  273 39 39
  274 20 20
  275 16 16
  290 12 12
  301 8 8
  333 8 8
//