ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000462
RECORD_TITLE: 2,4-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$NAME: 2,4-DIMETHYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₇NS
CH$EXACT_MASS: 113.02992
CH$SMILES: Cc(c1)nc(C)s1
CH$IUPAC: InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3
CH$LINK: INCHIKEY OBSLLHNATPQFMJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060250

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$SPLASH: splash10-03k9-9300000000-65fcb76464c8abe10e62
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  26 4 40
  27 8.7 87
  29 7.7 77
  30 0.22 2
  33 1 10
  34 1.6 16
  36 1.6 16
  37 0.22 2
  38 4.4 44
  39 20.2 202
  40 17.7 177
  41 0.3 3
  42 10.3 103
  43 1 10
  45 32.2 322
  46 0.35 4
  47 2.1 21
  50 1.2 12
  51 1.8 18
  52 0.19 2
  53 1.8 18
  54 1.5 15
  55 2.5 25
  56 0.17 2
  57 3.5 35
  58 3.6 36
  59 5 50
  60 0.1 1
  64 1.2 12
  65 1.3 13
  66 1.3 13
  67 0.18 2
  68 3.6 36
  69 10.9 109
  70 3.9 39
  71 9.11 91
  72 88.9 889
  73 10.2 102
  74 5.1 51
  75 0.1 1
  77 1.4 14
  78 2.4 24
  79 1.2 12
  85 0.18 2
  86 1.2 12
  91 2 20
  112 1.2 12
  113 99.99 999
  114 8.3 83
  115 6.2 62
  127 1.8 18
//