ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010665
RECORD_TITLE: DIHYDROFLEXIBILIDE; 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$NAME: DIHYDROFLEXIBILIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₂O₄
CH$EXACT_MASS: 336.23006
CH$SMILES: CC(=C2)CCC([H])(O1)C(C)(CCC([H])(C(C)3)CC([H])(OC(=O)3)C(C)(O)CC2)1
CH$IUPAC: InChI=1S/C20H32O4/c1-13-6-5-10-19(3,22)17-12-15(14(2)18(21)23-17)9-11-20(4)16(24-20)8-7-13/h6,14-17,22H,5,7-12H2,1-4H3/b13-6+/t14-,15+,16-,17+,19-,20-/m0/s1
CH$LINK: INCHIKEY WDEIQHZSEQJHHX-DLJWBEQKSA-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$SPLASH: splash10-0006-9510000000-eb79b5114a3d08fc889b
PK$NUM_PEAK: 152
PK$PEAK: m/z int. rel.int.
  41 45.5 455
  42 5.5 55
  43 99.99 999
  44 0.55 6
  45 9.1 91
  53 12.7 127
  54 5.5 55
  55 4.36 44
  56 4.5 45
  57 8.2 82
  58 6.4 64
  59 0.27 3
  65 3.6 36
  66 1.8 18
  67 20.9 209
  68 1 10
  69 19.1 191
  70 3.6 36
  71 14.5 145
  72 0.27 3
  77 6.4 64
  78 1.8 18
  79 12.7 127
  80 0.45 5
  81 30 300
  82 10 100
  83 7.3 73
  84 0.36 4
  85 5.5 55
  91 6.4 64
  92 3.6 36
  93 2.36 24
  94 14.5 145
  95 27.3 273
  96 7.3 73
  97 1.27 13
  98 4.5 45
  99 2.7 27
  105 5.5 55
  106 0.27 3
  107 16.4 164
  108 10.9 109
  109 20 200
  110 0.73 7
  111 10.9 109
  112 2.7 27
  113 9.1 91
  119 0.91 9
  120 5.5 55
  121 12.7 127
  122 5.5 55
  123 1.27 13
  124 9.1 91
  125 8.2 82
  126 3.6 36
  131 0.27 3
  132 1.4 14
  133 7.3 73
  134 3.6 36
  135 0.91 9
  136 4.5 45
  137 7.3 73
  138 5.5 55
  139 0.73 7
  140 1.8 18
  141 1 10
  145 3.6 36
  146 0.18 2
  147 5.5 55
  148 1.8 18
  149 5 50
  150 0.36 4
  151 8.2 82
  152 3.6 36
  153 3.2 32
  159 0.36 4
  160 1.8 18
  161 5.5 55
  162 1.8 18
  163 0.36 4
  164 4.5 45
  165 7.3 73
  166 3.6 36
  167 0.55 6
  168 1.8 18
  169 2.7 27
  173 2.7 27
  174 0.1 1
  175 2.7 27
  176 1 10
  177 5.5 55
  178 0.36 4
  179 4.5 45
  180 1.8 18
  187 1.8 18
  188 0.1 1
  189 1.8 18
  190 1 10
  191 2.7 27
  192 0.18 2
  193 2.7 27
  194 1.8 18
  195 4.5 45
  196 0.18 2
  197 1.8 18
  201 1.8 18
  203 1.6 16
  204 0.11 1
  205 2.5 25
  206 1.4 14
  207 2.7 27
  208 0.14 1
  209 3.6 36
  210 2.1 21
  211 1.6 16
  215 0.11 1
  217 1.6 16
  219 2.3 23
  220 1.1 11
  221 0.18 2
  223 1.8 18
  227 1.4 14
  229 1.4 14
  231 0.14 1
  233 1.6 16
  234 1.1 11
  235 2.3 23
  236 0.11 1
  237 1.8 18
  244 1.1 11
  245 2.3 23
  247 0.18 2
  257 1.4 14
  260 1.4 14
  261 1.8 18
  262 0.11 1
  263 1.1 11
  272 1 10
  275 1.8 18
  276 0.1 1
  279 1 10
  285 1.1 11
  290 1.6 16
  293 0.1 1
  300 1.4 14
  303 1.6 16
  308 1 10
  318 0.36 4
  319 1.4 14
  321 1 10
  336 1.6 16
  337 0.7 7
//