ACCESSION: MSBNK-Waters-WA002181
RECORD_TITLE: Propericiazine (oxide); 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$NAME: Propericiazine (oxide)
CH$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 60 V

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

PK$SPLASH: splash10-01ox-0901000000-aa6e48e4e6c88d8164a6
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  100 20 20
  114 964 964
  115 31 31
  124 55 55
  142 999 999
  143 63 63
  205 16 16
  237 98 98
  238 12 12
  265 39 39
  364 12 12
  366 180 180
  367 35 35
  368 12 12
  382 31 31
//