ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007801
RECORD_TITLE: 2-ISOBUTYL-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$NAME: 2-ISOBUTYL-4,5-DIMETHYLTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₅NS
CH$EXACT_MASS: 169.09252
CH$SMILES: CC(C)Cc(n1)sc(C)c(C)1
CH$IUPAC: InChI=1S/C9H15NS/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
CH$LINK: INCHIKEY NSVPHVLZAKJSGV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6068858

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$SPLASH: splash10-004i-2900000000-b8be4ac9fe47d15180ff
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  41 2.02 20
  42 2.01 20
  43 3.98 40
  53 4.02 40
  59 2.88 29
  68 4.98 50
  70 2 20
  71 17.1 171
  85 11.12 111
  86 32.08 321
  87 11.14 111
  94 2.02 20
  112 3.24 32
  126 58.27 583
  127 99.99 999
  128 25.04 250
  129 15 150
  154 37.22 372
  155 3.32 33
  168 12.35 124
  169 28.16 282
  170 5.87 59
  171 1 10
//