ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009953
RECORD_TITLE: 7-ISOPROPYL-1,4A-DIMETHYL-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1-PHENANTHRENECARBOXYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 7-ISOPROPYL-1,4A-DIMETHYL-1,2,3,4,4A,9,10,10A-OCTAHYDRO-1-PHENANTHRENECARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H28O2
CH$EXACT_MASS: 300.20893
CH$SMILES: CC(C)c(c3)cc(C2)c(c3)C(C)(C1)C(C2)C(C)(C(O)=O)CC1
CH$IUPAC: InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)
CH$LINK: INCHIKEY NFWKVWVWBFBAOV-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-000i-3891000000-4c76cb7734651ab12198
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  27 3.2 32
  29 2.2 22
  39 2.4 24
  41 1.37 14
  43 19.6 196
  45 2.2 22
  53 3.2 32
  55 0.76 8
  56 2.1 21
  67 4.3 43
  69 5.1 51
  77 0.47 5
  78 2.2 22
  79 6.5 65
  81 8.7 87
  82 0.22 2
  83 2.1 21
  84 1.6 16
  85 1.4 14
  89 0.32 3
  91 7.1 71
  92 3.2 32
  93 6.5 65
  94 0.21 2
  95 6.3 63
  96 0.5 5
  97 0.5 5
  99 0.25 3
  105 7.9 79
  107 7.9 79
  109 6.2 62
  111 0.17 2
  112 2.4 24
  115 7.9 79
  116 2.7 27
  117 1.11 11
  119 4.7 47
  121 6.3 63
  123 4.4 44
  125 0.19 2
  127 3.2 32
  128 8.2 82
  129 10.7 107
  130 0.24 2
  131 9.6 96
  132 1.6 16
  133 10.1 101
  134 0.27 3
  135 4.7 47
  136 2.5 25
  139 2.4 24
  141 1.53 15
  142 5.2 52
  143 9.2 92
  144 1.6 16
  145 0.52 5
  146 2.5 25
  147 1.3 13
  149 0.5 5
  150 0.38 4
  151 1.6 16
  152 2.1 21
  153 3.3 33
  154 0.22 2
  155 7.6 76
  156 2.5 25
  157 7.1 71
  159 1 10
  160 1.6 16
  161 1.3 13
  163 4.7 47
  165 0.32 3
  166 1.6 16
  167 6.3 63
  168 2.7 27
  169 0.6 6
  171 6 60
  173 4.1 41
  175 2.4 24
  179 0.21 2
  180 1.3 13
  181 2.1 21
  183 7.3 73
  184 0.19 2
  185 5.8 58
  186 3.3 33
  187 7.8 78
  189 0.19 2
  195 3 30
  197 26.9 269
  198 4.7 47
  199 0.63 6
  201 3.5 35
  207 1.6 16
  211 2.4 24
  213 0.16 2
  215 2.7 27
  225 3.5 35
  239 75.4 754
  240 1.53 15
  241 2.8 28
  243 7.9 79
  244 1.6 16
  255 0.16 2
  257 2.4 24
  259 3.2 32
  261 2.8 28
  271 0.27 3
  284 1.6 16
  285 99.99 999
  286 22.1 221
  287 0.28 3
  289 15 150
  290 3.2 32
  300 29.2 292
  301 0.71 7
  302 1.4 14
  304 6.3 63
//
