ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004574
RECORD_TITLE: 1,5-DIHYDROXY-4,6,8-TRIMETHYLAZULENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1,5-DIHYDROXY-4,6,8-TRIMETHYLAZULENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14O2
CH$EXACT_MASS: 202.09938
CH$SMILES: CC(C=1)=C(O)C(C)=C(C=2)C(=C(O)C2)C(C)1
CH$IUPAC: InChI=1S/C13H14O2/c1-7-6-8(2)13(15)9(3)10-4-5-11(14)12(7)10/h4-6,14-15H,1-3H3
CH$LINK: INCHIKEY UYNMLOQGFXASNF-UHFFFAOYSA-N
AC$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: splash10-0f89-4910000000-230ad510949cc810c5c5
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  38 2.05 21
  39 24.9 249
  40 4.05 41
  41 10.38 104
  42 2.62 26
  43 6.49 65
  50 6.54 65
  51 20.47 205
  52 7.84 78
  53 12.11 121
  55 4.05 41
  57.5 1.73 17
  58 2.46 25
  62 2.97 30
  63 12.4 124
  64 6.58 66
  64.5 1.68 17
  65 14.96 150
  66 2.95 30
  67 2.87 29
  71 2.46 25
  72 1.67 17
  73 1.89 19
  74 3.46 35
  75 4.8 48
  76 4.22 42
  77 21.84 218
  78 8.38 84
  79 6.42 64
  86 1.83 18
  87 5.1 51
  89 4.97 50
  91 35.1 351
  92 3.87 39
  102 3.88 39
  103 7.47 75
  104 2.43 24
  105 8.08 81
  115 31.42 314
  116 15.98 160
  117 14.58 146
  118 5.98 60
  119 3.96 40
  127 6.89 69
  128 17.1 171
  129 15.56 156
  130 9.14 91
  131 99.99 999
  132 43.8 438
  133 5.61 56
  141 3.76 38
  143 1.92 19
  144 2.05 21
  145 17.17 172
  146 46.44 464
  147 7.99 80
  149 1.95 20
  157 1.85 19
  159 29.04 290
  160 3.95 40
  173 12.11 121
  174 63.62 636
  175 8.65 87
  202 81.55 816
  203 12.92 129
//
