ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010639
RECORD_TITLE: (7Z)-LOBOHEDLEOLIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (7Z)-LOBOHEDLEOLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₆O₄
CH$EXACT_MASS: 330.18311
CH$SMILES: OC(=O)C(C2)=C([H])CCC(C)=C([H])C([H])(O1)C([H])(CCC(C)=C([H])C2)C(=C)C(=O)1
CH$IUPAC: InChI=1S/C20H26O4/c1-13-6-4-8-16(19(21)22)9-5-7-14(2)12-18-17(11-10-13)15(3)20(23)24-18/h6,9,12,17-18H,3-5,7-8,10-11H2,1-2H3,(H,21,22)/b13-6-,14-12+,16-9+/t17-,18-/m0/s1
CH$LINK: INCHIKEY SORYERHBQFTRIK-JAQFIYPLSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0k96-9510000000-a3be6b8c82eaba12dbad
PK$NUM_PEAK: 174
PK$PEAK: m/z int. rel.int.
  40 8.5 85
  41 65.5 655
  42 7.5 75
  43 3 30
  44 3.5 35
  45 6 60
  51 8.5 85
  52 0.5 5
  53 99.99 999
  54 10 100
  55 67 670
  56 0.65 7
  57 18 180
  58 2 20
  59 4 40
  60 0.7 7
  61 1 10
  65 18.5 185
  66 9.5 95
  67 3.1 31
  68 17 170
  69 27 270
  70 6 60
  71 1 10
  72 3.5 35
  73 8 80
  74 1.5 15
  77 2.65 27
  78 8.5 85
  79 39 390
  80 12.5 125
  81 8.15 82
  82 18 180
  83 18 180
  84 10.5 105
  85 0.6 6
  91 49 490
  92 12 120
  93 30 300
  94 0.3 3
  95 20 200
  96 3 30
  97 8 80
  98 0.45 5
  99 3 30
  103 7 70
  104 2 20
  105 0.4 4
  106 10 100
  107 24 240
  108 9 90
  109 1.1 11
  110 6 60
  111 4.5 45
  112 5 50
  113 0.25 3
  114 1.5 15
  115 6.1 61
  116 2 20
  117 1.2 12
  118 7.5 75
  119 29 290
  120 9 90
  121 2.45 25
  122 7 70
  123 11.5 115
  124 6 60
  125 0.2 2
  126 1.5 15
  127 2 20
  128 4 40
  129 0.55 6
  130 3 30
  131 14 140
  132 5 50
  133 2 20
  134 8.5 85
  135 15 150
  136 8 80
  137 0.7 7
  138 3.5 35
  139 2.5 25
  140 1.5 15
  141 0.3 3
  142 2.5 25
  143 5 50
  144 3.5 35
  145 1.4 14
  146 5 50
  147 16 160
  148 8 80
  149 1.8 18
  150 6 60
  151 10 100
  152 6 60
  153 0.3 3
  155 3 30
  157 5.5 55
  158 2.5 25
  159 0.99 10
  160 5.5 55
  161 9.9 99
  162 6.5 65
  163 1.05 11
  164 11.5 115
  165 9.5 95
  166 3.5 35
  171 0.7 7
  172 3 30
  173 7 70
  174 3 30
  175 0.65 7
  176 7 70
  177 9 90
  178 5.5 55
  179 0.45 5
  187 6.5 65
  188 4.5 45
  189 7 70
  190 0.4 4
  191 3.5 35
  192 2 20
  193 1.5 15
  197 0.3 3
  198 2 20
  199 7 70
  200 3.5 35
  201 0.55 6
  202 3 30
  203 6 60
  204 3 30
  205 0.2 2
  211 2.5 25
  213 4.5 45
  214 2.5 25
  215 0.35 4
  216 2 20
  217 7.5 75
  218 3 30
  219 0.25 3
  227 3 30
  228 2 20
  229 4 40
  230 0.25 3
  231 3.5 35
  232 5.5 55
  233 2.5 25
  239 0.35 4
  240 1.5 15
  241 2 20
  242 1 10
  243 0.2 2
  256 3.5 35
  257 2 20
  258 2 20
  259 0.2 2
  267 2.5 25
  268 1.5 15
  269 5 50
  270 0.15 2
  284 11.5 115
  285 5 50
  286 1.5 15
  295 0.35 4
  296 2 20
  297 3 30
  298 1 10
  312 1.15 12
  313 3 30
  314 1 10
  315 2 20
  316 0.1 1
  330 4.5 45
  331 1.5 15
//