ACCESSION: MSBNK-Waters-WA000848
RECORD_TITLE: Cyamemazine; 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$NAME: Cyamemazine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁N₃S
CH$EXACT_MASS: 323.14562
CH$SMILES: CN(C)CC(C)CN(c21)c(c3)c(ccc(C#N)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3
CH$LINK: CAS 3546-03-0
CH$LINK: INCHIKEY SLFGIOIONGJGRT-UHFFFAOYSA-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 14.600 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$SPLASH: splash10-0a4i-0190000000-0e2b1edb32be83e87cd6
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  100 20 20
  109 12 12
  129 8 8
  130 8 8
  134 12 12
  139 12 12
  151 39 39
  152 8 8
  153 12 12
  166 16 16
  169 12 12
  176 12 12
  177 35 35
  178 47 47
  179 47 47
  180 8 8
  183 12 12
  191 8 8
  192 47 47
  193 12 12
  194 8 8
  196 20 20
  197 8 8
  203 47 47
  204 153 153
  205 999 999
  206 121 121
  207 8 8
  209 24 24
  210 27 27
  211 12 12
  218 8 8
  221 12 12
  222 8 8
  223 212 212
  224 47 47
  225 16 16
  229 8 8
  231 16 16
  235 8 8
  236 12 12
  237 106 106
  238 16 16
  239 8 8
  245 12 12
  246 8 8
  248 8 8
  249 24 24
  250 8 8
  263 20 20
  324 20 20
  356 8 8
//