ACCESSION: MSBNK-Waters-WA001579
RECORD_TITLE: Chlorprothixene; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-01b9-0095000000-ea02731d73ca5647ce31
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  128 12 12
  142 8 8
  159 8 8
  203 8 8
  210 8 8
  221 31 31
  231 341 341
  232 43 43
  233 133 133
  234 24 24
  235 125 125
  236 200 200
  237 39 39
  238 82 82
  239 12 12
  240 24 24
  242 31 31
  245 74 74
  246 8 8
  247 31 31
  256 20 20
  257 8 8
  258 8 8
  269 8 8
  271 768 768
  272 106 106
  273 525 525
  274 74 74
  275 94 94
  276 12 12
  314 12 12
  316 999 999
  317 176 176
  318 392 392
  319 67 67
  320 20 20
//