ACCESSION: MSBNK-Waters-WA002803
RECORD_TITLE: Crimidine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Crimidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀ClN₃
CH$EXACT_MASS: 171.05633
CH$SMILES: CN(C)c(c1)nc(Cl)nc(C)1
CH$IUPAC: InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3
CH$LINK: CAS 535-89-7
CH$LINK: INCHIKEY HJIUPFPIEBPYIE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0041800

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 13.300 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 30 V

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

PK$SPLASH: splash10-00di-0900000000-1d917cfe6bdf8ade3c90
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  109 8 8
  136 27 27
  153 12 12
  154 67 67
  172 999 999
  173 86 86
  174 325 325
  175 27 27
  195 31 31
//