ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005147
RECORD_TITLE: 2-(2,2-DIMETHYL-4-OXOPENTYL)BENZOTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-(2,2-DIMETHYL-4-OXOPENTYL)BENZOTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H17NOS
CH$EXACT_MASS: 247.10308
CH$SMILES: CC(=O)CC(C)(C)Cc(n1)sc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C14H17NOS/c1-10(16)8-14(2,3)9-13-15-11-6-4-5-7-12(11)17-13/h4-7H,8-9H2,1-3H3
CH$LINK: INCHIKEY URIOICYHTUHHPI-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-HX-100
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-4910000000-43cab3ffd3f15477acc1
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  39 5.84 58
  40 3.15 32
  41 6.78 68
  42 1.22 12
  43 70.14 701
  44 3.86 39
  45 9.26 93
  51 1.79 18
  53 1.6 16
  55 4.74 47
  56 1.54 15
  57 3.53 35
  58 2.52 25
  61 1.41 14
  63 3 30
  65 3.36 34
  69 6.92 69
  71 1.51 15
  77 3.13 31
  81 1.27 13
  82 2.41 24
  83 3.73 37
  85 1.07 11
  97 1.16 12
  104 3.32 33
  108 8.04 80
  109 4.83 48
  116 1.06 11
  117 1.11 11
  121 2.39 24
  136 1.78 18
  148 9.54 95
  149 66.56 666
  150 8.58 86
  151 3.89 39
  162 1.49 15
  173 2.37 24
  174 5.69 57
  175 1.99 20
  177 1.3 13
  188 2.35 24
  189 14.49 145
  190 99.99 999
  191 16.54 165
  192 6.51 65
  232 7.93 79
  233 1.34 13
  247 19.21 192
  248 3.44 34
  249 1.26 13
//
