ACCESSION: MSBNK-Waters-WA002188
RECORD_TITLE: Promethazine (oxide); 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$NAME: Promethazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₀N₂S
CH$EXACT_MASS: 284.13472
CH$SMILES: CN(C)C(C)CN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
CH$LINK: CAS 60-87-7
CH$LINK: INCHIKEY PWWVAXIEGOYWEE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023518

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 14.220 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$SPLASH: splash10-0002-0693000000-94c96b7e663e0a32cd59
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  198 999 999
  199 106 106
  200 47 47
  212 212 212
  213 47 47
  214 27 27
  226 27 27
  239 114 114
  240 302 302
  241 39 39
  242 16 16
  256 462 462
  257 67 67
  258 24 24
  285 74 74
  286 16 16
  301 239 239
  302 39 39
  303 16 16
  317 188 188
  318 31 31
  319 12 12
//