ACCESSION: MSBNK-Waters-WA002179
RECORD_TITLE: Propericiazine (oxide); 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$NAME: Propericiazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₃N₃OS
CH$EXACT_MASS: 365.15618
CH$SMILES: N#Cc(c4)cc(c(c4)1)N(CCCN(C3)CCC(O)C3)c(c2)c(ccc2)S1
CH$IUPAC: InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
CH$LINK: CAS 2622-26-6
CH$LINK: INCHIKEY LUALIOATIOESLM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5045910

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 14.070 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$SPLASH: splash10-08fr-0980000000-28edce2e3387a4d71a88
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  100 27 27
  114 999 999
  115 47 47
  124 63 63
  142 176 176
  143 12 12
  192 12 12
  204 51 51
  205 607 607
  206 67 67
  210 12 12
  223 125 125
  224 39 39
  231 20 20
  232 16 16
  237 259 259
  238 35 35
  239 12 12
  250 12 12
  265 12 12
  366 43 43
//