ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001190
RECORD_TITLE: 1,10-DIHYDRO-11,13-DEHYDROMATRICARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAGAKI M, DEPT. OF GENERAL EDUC., HIROSAKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,10-DIHYDRO-11,13-DEHYDROMATRICARIN
CH$NAME: MONTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₀O₅
CH$EXACT_MASS: 304.13107
CH$SMILES: CC(=O)OC([H])(C1)C([H])(C(=C)3)C([H])(OC(=O)3)C([H])(C(C)=2)C([H])(C(=O)C([H])2)C([H])(C)1
CH$IUPAC: InChI=1S/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,8,12-16H,3,6H2,1-2,4H3/t8-,12-,13+,14-,15+,16+/m0/s1
CH$LINK: INCHIKEY VETNMUXXCNEZFK-OYBMWFINSA-N

AC$INSTRUMENT: JEOL JMS-D-100
AC$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$SPLASH: splash10-00xs-2920000000-9a1dfcc331d53e1a1b1d
PK$NUM_PEAK: 176
PK$PEAK: m/z int. rel.int.
  43 37.43 374
  44 10.16 102
  45 3.2 32
  55 4.18 42
  56 2.13 21
  57 8.56 86
  58 1.87 19
  59 2.4 24
  60 12.83 128
  61 2.67 27
  67 3.2 32
  68 2.94 29
  69 10.16 102
  70 3.2 32
  71 10.16 102
  72 1.6 16
  73 5.34 53
  79 4.27 43
  80 11.49 115
  81 11.5 115
  82 21.79 218
  83 12.96 130
  84 8.28 83
  85 8.26 83
  86 5.61 56
  87 3.07 31
  88 2.01 20
  91 5.34 53
  92 8.82 88
  93 18.55 186
  94 12.7 127
  95 30.42 304
  96 29.06 291
  97 21.92 219
  98 10.02 100
  99 10.01 100
  100 4.01 40
  101 3.2 32
  105 11.22 112
  106 8.55 86
  107 16.04 160
  108 14.3 143
  109 20.05 201
  110 8.02 80
  111 16.04 160
  112 4.67 47
  113 6.81 68
  114 5.34 53
  115 5.32 53
  117 3.74 37
  118 2.54 25
  119 16.63 166
  120 75.26 753
  121 35.02 350
  122 85.96 860
  123 28.87 289
  124 8.28 83
  125 10.69 107
  126 4.67 47
  127 3.2 32
  128 2.54 25
  129 10.64 106
  130 3.74 37
  131 8.55 86
  132 5.34 53
  133 14.43 144
  134 8.28 83
  135 36.63 366
  136 16.57 166
  137 11.23 112
  138 8.02 80
  139 6.15 62
  140 2.94 29
  141 3.2 32
  142 2.67 27
  143 5.88 59
  144 5.88 59
  145 13.1 131
  146 8.55 86
  147 31.55 316
  148 99.99 999
  149 34.22 342
  150 13.1 131
  151 8.28 83
  152 5.08 51
  153 5.34 53
  154 2.94 29
  155 8.02 80
  156 4.54 45
  157 10.42 104
  158 5.08 51
  159 11.22 112
  160 5.34 53
  161 10.69 107
  162 8.82 88
  163 7.75 78
  164 7.75 78
  165 76.47 765
  166 16.57 166
  167 36.89 369
  168 8.28 83
  169 7.48 75
  170 3.47 35
  171 8.55 86
  172 13.9 139
  173 24.86 249
  174 8.28 83
  175 8.56 86
  176 5.08 51
  177 9.84 98
  178 3.47 35
  179 5.61 56
  180 3.21 32
  181 8.55 86
  182 10.16 102
  183 13.9 139
  184 10.16 102
  185 11.22 112
  186 3.47 35
  187 5.88 59
  188 5.88 59
  189 8.55 86
  190 13.1 131
  191 6.95 70
  192 2.67 27
  193 2.94 29
  194 1.6 16
  195 2.4 24
  196 2.4 24
  197 5.34 53
  198 8.02 80
  199 8.55 86
  200 12.29 123
  201 20.85 209
  202 14.7 147
  203 13.63 136
  204 10.16 102
  205 3.2 32
  206 1.87 19
  207 23.26 233
  208 7.48 75
  209 4.01 40
  210 1.33 13
  211 11.22 112
  212 1.87 19
  213 4.81 48
  214 2.94 29
  215 5.61 56
  216 12.83 128
  217 4.81 48
  218 8.55 86
  219 2.67 27
  220 2.67 27
  225 2.94 29
  226 34.49 345
  227 7.48 75
  228 13.63 136
  229 8.55 86
  230 2.13 21
  231 5.88 59
  232 2.13 21
  242 2.4 24
  243 1.6 16
  244 57.21 572
  245 11.22 112
  246 51.06 511
  247 9.35 94
  256 2.13 21
  260 2.13 21
  262 4.27 43
  264 2.67 27
  286 2.4 24
  289 1.06 11
  304 5.34 53
  305 1.06 11
  306 2.94 29
//