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MassBank Record: MSBNK-Waters-WA002795

Cyamemazine; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: MSBNK-Waters-WA002795
RECORD_TITLE: Cyamemazine; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0a4i-0190000000-c329717692910030453e
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  100 196 196
  101 16 16
  130 12 12
  178 8 8
  179 8 8
  192 12 12
  193 8 8
  203 16 16
  204 86 86
  205 999 999
  206 121 121
  207 8 8
  210 24 24
  211 8 8
  218 8 8
  221 12 12
  223 243 243
  224 71 71
  225 20 20
  231 16 16
  232 8 8
  237 458 458
  238 59 59
  239 27 27
  245 16 16
  246 16 16
  247 8 8
  249 16 16
  250 8 8
  251 8 8
  263 16 16
  264 8 8
  265 8 8
  277 8 8
  278 20 20
  279 16 16
  324 20 20
  356 8 8
//

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