ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010712
RECORD_TITLE: (2Z)-2-(2,4-HEXADIYNYIDENE)-1,6-DIOXASPIRO(4,5)DEC-3-ENE; 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$NAME: (2Z)-2-(2,4-HEXADIYNYIDENE)-1,6-DIOXASPIRO(4,5)DEC-3-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₄O₂
CH$EXACT_MASS: 214.09938
CH$SMILES: CC#CC#CC([H])=C(O1)C([H])=C([H])C(C2)(OCCC2)1
CH$IUPAC: InChI=1S/C14H14O2/c1-2-3-4-5-8-13-9-11-14(16-13)10-6-7-12-15-14/h8-9,11H,6-7,10,12H2,1H3/b13-8-
CH$LINK: INCHIKEY RNEORCMLRJNFGE-JYRVWZFOSA-N
CH$LINK: COMPTOX DTXSID70422033

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$SPLASH: splash10-06vi-9820000000-6ad47b6595f8b86cbf80
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  41 48 480
  42 12 120
  43 19 190
  50 6.1 61
  51 38 380
  52 22.5 225
  53 25.5 255
  54 2.8 28
  55 56 560
  56 6 60
  57 6 60
  61 0.4 4
  62 11.5 115
  63 21 210
  64 6.5 65
  65 1.15 12
  66 6 60
  67 12 120
  68 7 70
  69 0.8 8
  70 2 20
  71 5 50
  73 3 30
  74 2.3 23
  75 30 300
  76 65 650
  77 38.5 385
  78 1.2 12
  79 14 140
  80 7 70
  81 18 180
  82 1.8 18
  83 6 60
  84 2 20
  85 3 30
  86 0.6 6
  87 11 110
  88 7.5 75
  89 10.5 105
  90 0.3 3
  91 18 180
  92 4.5 45
  93 5 50
  94 0.5 5
  95 7 70
  96 4 40
  97 3.5 35
  98 0.35 4
  99 3.5 35
  100 3 30
  101 7 70
  102 3.8 38
  103 13 130
  104 7.5 75
  105 6 60
  106 0.2 2
  107 6 60
  108 2 20
  109 2 20
  110 0.45 5
  111 2 20
  113 5 50
  114 4 40
  115 5.15 52
  116 12 120
  117 8 80
  118 3 30
  119 0.4 4
  120 2 20
  121 3 30
  122 4 40
  124 0.3 3
  126 7 70
  127 19.5 195
  128 29 290
  129 2.8 28
  130 24 240
  131 11 110
  132 6 60
  133 0.4 4
  134 2 20
  135 2 20
  137 3 30
  138 0.45 5
  139 5.5 55
  140 3 30
  141 14 140
  142 0.95 10
  143 16 160
  144 10 100
  145 13 130
  146 0.3 3
  147 5 50
  148 3 30
  149 9 90
  150 0.4 4
  151 2.5 25
  152 6 60
  153 7 70
  154 0.3 3
  155 8 80
  156 56 560
  157 29 290
  158 4 40
  159 14 140
  160 4 40
  161 2.5 25
  165 0.3 3
  167 3 30
  168 2 20
  169 21 210
  170 0.8 8
  171 21 210
  172 6 60
  173 5 50
  181 0.4 4
  182 2 20
  183 4 40
  184 5 50
  185 2.7 27
  186 18 180
  187 4 40
  197 5 50
  198 0.3 3
  199 8 80
  200 6.5 65
  213 14 140
  214 99.99 999
  215 16 160
//