ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003258
RECORD_TITLE: 2-NORMAL-BUTYLTHIO-5-AMINOTHIAZOLO(5,4-D)PYRIMIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2-NORMAL-BUTYLTHIO-5-AMINOTHIAZOLO(5,4-D)PYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12N4S2
CH$EXACT_MASS: 240.05034
CH$SMILES: CCCCSc(n1)sc(n2)c(cnc(N)2)1
CH$IUPAC: InChI=1S/C9H12N4S2/c1-2-3-4-14-9-12-6-5-11-8(10)13-7(6)15-9/h5H,2-4H2,1H3,(H2,10,11,13)
CH$LINK: INCHIKEY PRKGQDKIJIYSBY-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6E
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001l-2910000000-6302e8b416b5c83a576e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  83 12 120
  85 15 150
  97 25 250
  125 11 110
  142 32 320
  180 9 90
  184 99.99 999
  193 30 300
  198 12 120
  207 3 30
  240 30 300
//
