ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007800
RECORD_TITLE: 2-BUTYL-4,5-DIMETHLTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: 2-BUTYL-4,5-DIMETHLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H15NS
CH$EXACT_MASS: 169.09252
CH$SMILES: CCCCc(n1)sc(C)c(C)1
CH$IUPAC: InChI=1S/C9H15NS/c1-4-5-6-9-10-7(2)8(3)11-9/h4-6H2,1-3H3
CH$LINK: INCHIKEY OHJFDYDPHXVQBC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90227380
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-3900000000-7716ad9a33bdf71a763c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41 1.68 17
  42 1.64 16
  45 2.52 25
  53 4.51 45
  59 1.36 14
  68 4.88 49
  71 23.02 230
  85 9.86 99
  86 28.96 290
  87 12.12 121
  94 2.06 21
  112 3.04 30
  126 34.9 349
  127 99.99 999
  128 25.05 251
  129 15.98 160
  140 38.12 381
  141 16.08 161
  142 2.32 23
  154 12.22 122
  168 1.88 19
  169 19.02 190
  170 2.24 22
//
