ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007804
RECORD_TITLE: 5-ACETYL-2,4-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$NAME: 5-ACETYL-2,4-DIMETHYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₉NOS
CH$EXACT_MASS: 155.04048
CH$SMILES: CC(=O)c(s1)c(C)nc(C)1
CH$IUPAC: InChI=1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
CH$LINK: INCHIKEY BLQOKWQUTLNKON-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047680

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$SPLASH: splash10-0006-8900000000-b5081d4c33feb5749a6e
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  39 1 10
  42 6.88 69
  43 99.99 999
  44 3.85 39
  45 11.12 111
  59 1.24 12
  70 1.03 10
  71 45.12 451
  72 33.98 340
  73 3.76 38
  74 1.88 19
  84 1 10
  85 1 10
  86 2.03 20
  90 2.86 29
  112 35.87 359
  113 18.34 183
  114 18.57 186
  115 1.03 10
  140 52.94 529
  141 14 140
  142 8.13 81
  155 48.95 490
  156 15.73 157
  157 7.84 78
//