ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007795
RECORD_TITLE: 2-ETHYL-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$NAME: 2-ETHYL-4,5-DIMETHYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H11NS
CH$EXACT_MASS: 141.06122
CH$SMILES: CCc(n1)sc(C)c(C)1
CH$IUPAC: InChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3
CH$LINK: INCHIKEY BVOKJOZBJOWZNJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90335095
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$SPLASH: splash10-000f-9600000000-2cc713210b2f7fc89570
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 3.68 37
  29 7.24 72
  39 1.04 10
  41 3.89 39
  42 20.12 201
  45 10.32 103
  46 1 10
  47 1.93 19
  53 16.67 167
  54 5.91 59
  58 2.88 29
  60 1.02 10
  71 85.03 850
  72 7.96 80
  73 8.54 85
  82 36.21 362
  83 1 10
  84 1.01 10
  85 37.67 377
  86 99.99 999
  87 22.13 221
  88 8.82 88
  112 2.1 21
  113 14.06 141
  114 4.02 40
  126 53.96 540
  127 5.97 60
  128 2.81 28
  139 3.16 32
  140 63.89 639
  141 88.14 881
  142 31.86 319
  143 15.76 158
//
