ACCESSION: MSBNK-Waters-WA001578
RECORD_TITLE: Chlorprothixene; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0080-0090000000-37905fa587fa44a94b62
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  100 12 12
  103 8 8
  115 8 8
  128 59 59
  129 8 8
  130 12 12
  142 20 20
  159 20 20
  162 24 24
  164 8 8
  186 12 12
  193 16 16
  195 12 12
  202 27 27
  203 94 94
  204 16 16
  210 141 141
  211 16 16
  212 39 39
  214 8 8
  221 482 482
  222 82 82
  223 27 27
  231 999 999
  232 114 114
  233 392 392
  234 145 145
  235 545 545
  236 650 650
  237 118 118
  238 325 325
  239 43 43
  240 90 90
  241 12 12
  242 8 8
  245 161 161
  246 24 24
  247 63 63
  248 8 8
  255 8 8
  256 90 90
  257 16 16
  258 39 39
  259 8 8
  269 16 16
  271 595 595
  272 82 82
  273 345 345
  274 51 51
  275 47 47
  276 8 8
  316 208 208
  317 35 35
  318 78 78
  319 12 12
//