ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000461
RECORD_TITLE: 4,5-DIMETHYLTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
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$LINK: INCHIKEY UWSONZCNXUSTKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40189348

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03k9-9400000000-1ed8f999cd57b2b2ac69
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  26 3.8 38
  27 10 100
  29 2.8 28
  30 0.13 1
  31 2.5 25
  37 1.3 13
  38 2 20
  39 0.83 8
  40 1.9 19
  41 6.1 61
  42 4 40
  43 0.33 3
  45 23.2 232
  46 2.8 28
  47 1.6 16
  50 0.39 4
  51 5.5 55
  52 3.3 33
  53 8.8 88
  54 0.32 3
  55 2.8 28
  57 2.4 24
  58 8 80
  59 1.25 13
  60 2.3 23
  68 1.6 16
  69 6.2 62
  70 0.22 2
  71 70.9 709
  72 7.1 71
  73 3.7 37
  80 0.16 2
  84 1.3 13
  85 23.4 234
  86 23.8 238
  87 0.25 3
  88 1.3 13
  98 9.3 93
  99 1 10
  112 1.25 13
  113 99.99 999
  114 7.3 73
  115 4.4 44
//