ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007799
RECORD_TITLE: 2-BUTYL-4-METHYLTHIAZOLE; 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$NAME: 2-BUTYL-4-METHYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H13NS
CH$EXACT_MASS: 155.07687
CH$SMILES: CCCCc(s1)nc(C)c1
CH$IUPAC: InChI=1S/C8H13NS/c1-3-4-5-8-9-7(2)6-10-8/h6H,3-5H2,1-2H3
CH$LINK: INCHIKEY HVRMJTCTZVGJDO-UHFFFAOYSA-N
AC$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: splash10-0200-5900000000-760e311318a876cd227e
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  39 3.98 40
  41 5.56 56
  42 1.96 20
  45 2.32 23
  54 1.22 12
  68 9.01 90
  71 19.97 200
  72 26.78 268
  73 13.96 140
  74 2.1 21
  85 1.12 11
  100 1.08 11
  112 21.02 210
  114 17.89 179
  115 13 130
  126 44.98 450
  127 29.1 291
  128 3.56 36
  140 15.03 150
  154 2.06 21
  155 8.02 80
  156 2.02 20
//
