ACCESSION: MSBNK-Waters-WA001576
RECORD_TITLE: Chlorprothixene; 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$NAME: Chlorprothixene
CH$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 90 V

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

PK$SPLASH: splash10-0089-0190000000-acaa6b9712710f183fa4
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  103 8 8
  115 27 27
  128 35 35
  129 12 12
  149 12 12
  151 8 8
  152 67 67
  153 8 8
  162 8 8
  165 106 106
  166 24 24
  177 8 8
  178 47 47
  189 12 12
  191 8 8
  195 98 98
  196 219 219
  197 39 39
  198 8 8
  199 106 106
  200 12 12
  201 35 35
  202 165 165
  203 168 168
  204 27 27
  208 27 27
  209 78 78
  210 286 286
  211 39 39
  212 67 67
  213 8 8
  214 16 16
  221 999 999
  222 157 157
  223 59 59
  231 729 729
  232 94 94
  233 286 286
  234 372 372
  235 376 376
  236 110 110
  237 31 31
  238 59 59
  239 8 8
  240 20 20
  244 8 8
  245 31 31
  247 12 12
  255 121 121
  256 35 35
  257 51 51
  258 12 12
  271 24 24
  273 12 12
  316 24 24
  318 12 12
//