ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007798
RECORD_TITLE: 2-ISOBUTYL-4-METHYLTHIAZOLE; 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$NAME: 2-ISOBUTYL-4-METHYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H13NS
CH$EXACT_MASS: 155.07687
CH$SMILES: CC(C)Cc(s1)nc(C)c1
CH$IUPAC: InChI=1S/C8H13NS/c1-6(2)4-8-9-7(3)5-10-8/h5-6H,4H2,1-3H3
CH$LINK: INCHIKEY JBUCYVMFLWLDIO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80210226
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$SPLASH: splash10-03di-5900000000-db1f141addf535b34c74
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 1.06 11
  39 3.04 30
  41 10.96 110
  42 2.02 20
  43 24.04 240
  45 5.98 60
  46 1 10
  47 1 10
  68 19.88 199
  71 16.97 170
  72 41.86 419
  73 22.85 229
  74 2.85 29
  75 1 10
  85 1.98 20
  100 1 10
  112 32.32 323
  113 99.99 999
  114 21.56 216
  115 17.58 176
  139 1 10
  140 37.98 380
  141 1.96 20
  142 1.02 10
  154 12.78 128
  155 25.96 260
  156 3.88 39
//
