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MassBank Record: WA002796

Cyamemazine; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002796
RECORD_TITLE: Cyamemazine; 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$NAME: Cyamemazine
CH$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 60 V

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

PK$SPLASH: splash10-0udr-0690000000-dc4bc53eeb39f78249da
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 74 74
  204 8 8
  205 325 325
  206 43 43
  223 98 98
  224 47 47
  225 12 12
  231 8 8
  237 682 682
  238 98 98
  239 39 39
  240 8 8
  245 8 8
  246 24 24
  247 12 12
  251 8 8
  253 8 8
  263 8 8
  264 8 8
  265 16 16
  269 8 8
  278 27 27
  279 63 63
  280 12 12
  292 8 8
  295 20 20
  324 71 71
  325 16 16
  340 24 24
  356 27 27
//

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