ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005157
RECORD_TITLE: 4-(2-HYDROXYETHYL)-7-ISOPROPYL-1-METHYLAZULENE; 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$NAME: 4-(2-HYDROXYETHYL)-7-ISOPROPYL-1-METHYLAZULENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H20O
CH$EXACT_MASS: 228.15142
CH$SMILES: OCCC(C=2)=C(C=1)C(C=C(C(C)C)C2)=C(C)C1
CH$IUPAC: InChI=1S/C16H20O/c1-11(2)14-6-5-13(8-9-17)15-7-4-12(3)16(15)10-14/h4-7,10-11,17H,8-9H2,1-3H3
CH$LINK: INCHIKEY IKCSTPCYLTYEQG-UHFFFAOYSA-N
AC$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: splash10-00or-2930000000-6057264564613cf50298
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  35 0.79 8
  39 5.78 58
  40 0.77 8
  41 10.66 107
  42 2.23 22
  43 20.66 207
  44 4.5 45
  45 2.49 25
  50 1.25 13
  51 4.67 47
  52 1.06 11
  53 2.98 30
  54 0.58 6
  55 6.42 64
  56 3.75 38
  57 6.7 67
  58 0.64 6
  60 1.33 13
  61 2.16 22
  62 1 10
  63 4.49 45
  64 1.64 16
  65 2.9 29
  67 1.51 15
  68 0.61 6
  69 3.4 34
  70 2.26 23
  71 3.73 37
  73 1.21 12
  74 2.44 24
  75 2.29 23
  76 4.51 45
  77 6.48 65
  78 1.68 17
  79 1.58 16
  81 1.83 18
  82 2.53 25
  83 3.37 34
  84 1.25 13
  85 1.47 15
  86 0.82 8
  87 1.48 15
  88 1.41 14
  89 4.4 44
  90 1.5 15
  91 5.27 53
  92 0.78 8
  93 1.02 10
  95 1.31 13
  96 0.75 8
  97 1.56 16
  98 0.77 8
  99 0.83 8
  101 1.15 12
  102 1.84 18
  103 1.32 13
  104 0.76 8
  105 2.77 28
  107 0.72 7
  109 0.79 8
  111 0.99 10
  112 0.72 7
  113 1.28 13
  114 3.7 37
  115 12.24 122
  116 2.32 23
  117 1.34 13
  118 4.55 46
  119 1 10
  123 0.58 6
  125 0.66 7
  126 1.91 19
  127 6.01 60
  128 15.3 153
  129 10.37 104
  130 1.77 18
  131 1.09 11
  133 0.53 5
  137 0.57 6
  138 0.55 6
  139 5.6 56
  140 1.68 17
  141 18.38 184
  142 12.58 126
  143 34.72 347
  144 5.1 51
  145 1.16 12
  149 6.2 62
  150 2.5 25
  151 5.55 56
  152 21.7 217
  153 20.56 206
  154 12.03 120
  155 16.86 169
  156 4.74 47
  157 19.6 196
  158 4.08 41
  159 0.78 8
  163 1.94 19
  164 2.46 25
  165 28.81 288
  166 11.67 117
  167 26.25 263
  168 12.03 120
  169 23.24 232
  170 7.57 76
  171 3.42 34
  172 0.67 7
  176 1.5 15
  177 1.56 16
  178 6.43 64
  179 7 70
  180 4.7 47
  181 11.32 113
  182 12.35 124
  183 12.18 122
  184 5.95 60
  185 27.87 279
  186 4.66 47
  187 0.76 8
  189 0.71 7
  191 0.64 6
  193 1.02 10
  194 0.84 8
  195 5.08 51
  196 1.92 19
  197 5.91 59
  198 3.87 39
  199 3.83 38
  200 0.87 9
  209 1.34 13
  210 1.07 11
  211 4.81 48
  212 1.86 19
  213 48.04 480
  214 8.82 88
  215 0.95 10
  226 1.11 11
  227 5.64 56
  228 99.99 999
  229 20.83 208
  230 2.23 22
  231 0.27 3
//
