ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010663
RECORD_TITLE: FLEXIBILIDE; 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$NAME: FLEXIBILIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₀O₄
CH$EXACT_MASS: 334.21441
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/C20H30O4/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/h6,15-17,22H,2,5,7-12H2,1,3-4H3/b13-6+/t15-,16+,17-,19+,20+/m1/s1
CH$LINK: INCHIKEY YKKJETNBRNDYKN-JZZWRREUSA-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$SPLASH: splash10-052f-9500000000-9078b8432f9898718620
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  41 57.5 575
  42 5.8 58
  43 99.99 999
  44 0.75 8
  45 10.6 106
  51 2.2 22
  52 2.2 22
  53 3.76 38
  54 6.6 66
  55 55.7 557
  56 3.1 31
  57 0.88 9
  58 9.7 97
  59 2.7 27
  65 8.4 84
  66 0.44 4
  67 39.8 398
  68 15 150
  69 27 270
  70 0.31 3
  71 23.9 239
  72 3.1 31
  73 1.3 13
  74 0.1 1
  77 15 150
  78 3.1 31
  79 31.8 318
  80 0.75 8
  81 46.9 469
  82 16.8 168
  83 11.9 119
  84 0.44 4
  85 4.9 49
  91 17.3 173
  92 5.3 53
  93 3.98 40
  94 16.8 168
  95 37.2 372
  96 8 80
  97 1.77 18
  98 2.7 27
  99 2.2 22
  105 13.3 133
  106 0.53 5
  107 23.9 239
  108 14.6 146
  109 23 230
  110 0.71 7
  111 12.8 128
  112 4 40
  113 2.7 27
  117 0.27 3
  118 1.8 18
  119 12.8 128
  120 5.3 53
  121 1.9 19
  122 9.7 97
  123 18.6 186
  124 9.7 97
  125 1.02 10
  126 1.8 18
  127 1.3 13
  131 4.4 44
  132 0.18 2
  133 11.9 119
  134 6.2 62
  135 12.4 124
  136 0.58 6
  137 10.2 102
  138 8.4 84
  139 6.6 66
  140 0.22 2
  141 1.3 13
  143 1.3 13
  145 5.3 53
  146 0.27 3
  147 10.6 106
  148 5.8 58
  149 12.8 128
  150 0.53 5
  151 10.2 102
  152 4 40
  153 2.2 22
  157 0.18 2
  159 3.5 35
  160 1.8 18
  161 7.1 71
  162 0.49 5
  163 8 80
  164 6.2 62
  165 12.4 124
  166 0.62 6
  167 6.6 66
  168 1.3 13
  169 1.3 13
  171 0.13 1
  173 2.7 27
  174 1.3 13
  175 4.9 49
  176 0.22 2
  177 5.3 53
  178 2.6 26
  179 2.6 26
  180 0.18 2
  181 1.8 18
  185 1.3 13
  187 2.2 22
  189 0.31 3
  190 2.6 26
  191 4 40
  192 3.1 31
  193 0.62 6
  194 1.3 13
  195 2.6 26
  201 1.4 14
  203 0.29 3
  204 1.5 15
  205 3.9 39
  206 1.4 14
  207 0.19 2
  208 1.4 14
  209 2.8 28
  215 1.2 12
  217 0.2 2
  218 1.2 12
  219 1.3 13
  221 1.8 18
  227 0.11 1
  231 1.7 17
  233 1.7 17
  235 2 20
  245 0.15 2
  255 1 10
  259 1.2 12
  273 1.9 19
  288 0.1 1
  291 1 10
  298 0.7 7
  299 1 10
  301 0.1 1
  316 1.4 14
  319 0.8 8
  334 0.8 8
//