ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010707
RECORD_TITLE: (2Z)-2-(2,4-HEXADIYNYLIDENE)-3,4-DIACETOXY-1,6-DIOXASPIRO(4,5)DECANE; 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$NAME: (2Z)-2-(2,4-HEXADIYNYLIDENE)-3,4-DIACETOXY-1,6-DIOXASPIRO(4,5)DECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₀O₆
CH$EXACT_MASS: 332.12599
CH$SMILES: CC#CC#CC([H])=C(O1)C(OC(C)=O)C(OC(C)=O)C(C2)(OCCC2)1
CH$IUPAC: InChI=1S/C18H20O6/c1-4-5-6-7-10-15-16(22-13(2)19)17(23-14(3)20)18(24-15)11-8-9-12-21-18/h10,16-17H,8-9,11-12H2,1-3H3/b15-10-
CH$LINK: INCHIKEY ZUVKMJVHYBUAHI-GDNBJRDFSA-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$SPLASH: splash10-0059-3930000000-61cc052e917f4ceb1d0b
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  40 3 30
  41 15.5 155
  42 3 30
  43 9.1 91
  44 3.5 35
  45 5.5 55
  50 5 50
  51 0.65 7
  52 2.5 25
  53 3.5 35
  55 12.5 125
  56 0.4 4
  57 10 100
  58 3.5 35
  59 4.5 45
  63 0.3 3
  64 2 20
  65 4 40
  66 2 20
  67 0.55 6
  69 6 60
  70 2 20
  71 24 240
  72 0.25 3
  73 4.5 45
  74 2.5 25
  75 4.5 45
  76 1 10
  77 7 70
  78 3.5 35
  79 4 40
  81 0.35 4
  83 6.5 65
  84 2 20
  85 9 90
  87 0.4 4
  89 3.5 35
  90 3 30
  91 4 40
  95 0.45 5
  97 5.5 55
  101 10 100
  102 3.5 35
  103 0.35 4
  104 8 80
  105 4.5 45
  106 4 40
  107 0.35 4
  109 3.5 35
  111 3.5 35
  113 19 190
  114 0.8 8
  115 4 40
  116 2 20
  117 3 30
  118 0.3 3
  119 4.5 45
  121 2 20
  125 10 100
  126 99.99 999
  127 32.5 325
  128 7 70
  129 3.5 35
  130 0.25 3
  131 5 50
  132 4 40
  133 2 20
  135 0.8 8
  136 9.5 95
  137 3 30
  141 4 40
  142 0.3 3
  143 9 90
  144 4 40
  145 6 60
  146 0.7 7
  147 3.5 35
  148 2.5 25
  149 7 70
  150 0.35 4
  153 3.5 35
  155 3.5 35
  156 5.5 55
  157 0.35 4
  158 3.5 35
  159 7 70
  160 6 60
  161 0.75 8
  162 2 20
  163 4 40
  166 4 40
  168 3.3 33
  169 12 120
  170 4 40
  171 3.5 35
  172 0.4 4
  173 8 80
  174 10 100
  175 4 40
  177 0.35 4
  178 6 60
  183 4 40
  184 12 120
  185 1.1 11
  186 4 40
  187 12.5 125
  188 4 40
  189 0.25 3
  197 3.5 35
  199 4 40
  200 2 20
  201 1 10
  202 17 170
  203 4.5 45
  211 3 30
  212 1.9 19
  213 7 70
  214 3.5 35
  215 5 50
  216 0.2 2
  229 10 100
  230 72 720
  231 13 130
  232 0.2 2
  272 22 220
  273 7 70
  332 43 430
  333 0.8 8
  334 3 30
//