ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007789
RECORD_TITLE: 4,5-DIMETHYLTHIAZOLE; 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$NAME: 4,5-DIMETHYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H7NS
CH$EXACT_MASS: 113.02992
CH$SMILES: Cc(n1)c(C)sc1
CH$IUPAC: InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
CH$LINK: CAS 3581-91-7
CH$LINK: INCHIKEY UWSONZCNXUSTKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40189348
AC$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: splash10-03ki-9300000000-97ca8c5b32b3ad56541b
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 4.02 40
  39 7.12 71
  41 7.1 71
  42 8.98 90
  45 31.1 311
  46 6.1 61
  47 1.96 20
  52 1.98 20
  53 25.03 250
  54 11.02 110
  55 6.08 61
  58 6.06 61
  59 16.98 170
  60 3.02 30
  61 1.01 10
  65 2.02 20
  68 2.87 29
  71 93.87 939
  72 24.98 250
  73 9.23 92
  74 1.01 10
  80 5.04 50
  84 2.01 20
  85 50.87 509
  86 73 730
  87 9.01 90
  88 4.06 41
  98 31.02 310
  99 1.02 10
  100 1.02 10
  112 36.85 369
  113 99.99 999
  114 20.98 210
  115 18.89 189
  116 1.12 11
//
