ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010666
RECORD_TITLE: SINULARIOLIDE; 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$NAME: SINULARIOLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₀O₄
CH$EXACT_MASS: 334.21441
CH$SMILES: CC(C2)=C([H])CCC(C)(O1)C([H])(CC([H])(C3)C(=C)C(=O)OC(C)(C3)C([H])(O)C2)1
CH$IUPAC: InChI=1S/C20H30O4/c1-13-6-5-10-20(4)17(23-20)12-15-9-11-19(3,16(21)8-7-13)24-18(22)14(15)2/h6,15-17,21H,2,5,7-12H2,1,3-4H3/b13-6+/t15-,16+,17+,19-,20+/m1/s1
CH$LINK: INCHIKEY FONRUOAYELOHDC-ZOOQSLMQSA-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$SPLASH: splash10-0006-9500000000-15f153bfd6ca24fc2de6
PK$NUM_PEAK: 158
PK$PEAK: m/z int. rel.int.
  41 59 590
  42 5 50
  43 99.99 999
  44 1.4 14
  45 7 70
  51 2 20
  52 1 10
  53 2.9 29
  54 4.5 45
  55 45 450
  56 4 40
  57 1 10
  58 5 50
  59 1.5 15
  65 8 80
  66 0.5 5
  67 39 390
  68 24 240
  69 27 270
  70 0.2 2
  71 15 150
  72 4 40
  73 3 30
  74 0.1 1
  77 16.5 165
  78 3 30
  79 30 300
  80 0.95 10
  81 52 520
  82 9 90
  83 13 130
  84 1.2 12
  85 7 70
  87 1.5 15
  91 18 180
  92 0.5 5
  93 47 470
  94 17 170
  95 32 320
  96 0.8 8
  97 12 120
  98 3 30
  99 2 20
  103 0.1 1
  105 17 170
  106 7 70
  107 26.5 265
  108 2 20
  109 27 270
  110 9 90
  111 15.5 155
  112 0.3 3
  113 2 20
  117 4 40
  118 2 20
  119 1.9 19
  120 8 80
  121 19 190
  122 10 100
  123 1.6 16
  125 7 70
  129 2 20
  131 6 60
  132 0.4 4
  133 15 150
  134 9 90
  135 17 170
  136 0.7 7
  137 13 130
  138 7 70
  139 9 90
  140 0.2 2
  143 2 20
  145 8 80
  146 3 30
  147 1.7 17
  148 6 60
  149 11 110
  150 6 60
  151 1.4 14
  152 7 70
  153 3 30
  154 1 10
  155 0.2 2
  157 2 20
  158 1 10
  159 6 60
  160 0.3 3
  161 10 100
  162 4 40
  163 10 100
  164 0.7 7
  165 15 150
  166 3 30
  167 5 50
  168 0.2 2
  169 1 10
  171 2 20
  172 3 30
  174 0.2 2
  175 5 50
  176 3 30
  177 7 70
  178 0.4 4
  179 2 20
  180 2 20
  185 3 30
  186 0.1 1
  187 4 40
  188 1 10
  189 4 40
  190 0.2 2
  191 4 40
  192 3 30
  193 7 70
  194 0.2 2
  197 1.5 15
  199 2 20
  201 2 20
  202 0.1 1
  203 3 30
  204 2 20
  205 6 60
  207 0.2 2
  209 2 20
  211 1 10
  213 2 20
  215 0.1 1
  217 3 30
  218 1 10
  219 2 20
  220 0.1 1
  221 3 30
  222 1 10
  227 1.5 15
  229 0.1 1
  231 2 20
  232 1 10
  233 2 20
  235 0.2 2
  237 1 10
  239 1 10
  243 1 10
  245 0.2 2
  247 1 10
  251 1.3 13
  255 1 10
  259 0.12 1
  270 1.2 12
  273 1.4 14
  283 1 10
  288 0.12 1
  298 2 20
  301 0.8 8
  316 3.6 36
  317 0.1 1
  334 2.2 22
  335 0.5 5
//