ACCESSION: MSBNK-Waters-WA001577
RECORD_TITLE: Chlorprothixene; 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$NAME: Chlorprothixene
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₈ClNS
CH$EXACT_MASS: 315.08485
CH$SMILES: CN(C)CCC=C(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
CH$LINK: CAS 113-59-7
CH$LINK: INCHIKEY WSPOMRSOLSGNFJ-AUWJEWJLSA-N

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 15.260 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$SPLASH: splash10-008i-0090000000-e40ac94d77e2d26e70c1
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  100 12 12
  103 12 12
  115 16 16
  128 55 55
  129 12 12
  130 8 8
  149 8 8
  159 12 12
  162 20 20
  164 8 8
  165 27 27
  178 8 8
  193 8 8
  195 20 20
  196 43 43
  197 12 12
  199 16 16
  202 63 63
  203 180 180
  204 27 27
  208 8 8
  209 24 24
  210 317 317
  211 35 35
  212 71 71
  213 12 12
  214 16 16
  221 913 913
  222 153 153
  223 51 51
  224 8 8
  231 999 999
  232 114 114
  233 380 380
  234 278 278
  235 541 541
  236 298 298
  237 71 71
  238 176 176
  239 24 24
  240 51 51
  241 8 8
  245 90 90
  246 12 12
  247 35 35
  255 51 51
  256 63 63
  257 27 27
  258 24 24
  269 8 8
  271 110 110
  272 16 16
  273 55 55
  274 8 8
  275 8 8
  316 43 43
  317 8 8
  318 16 16
//