ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010709
RECORD_TITLE: (2Z)-2-(2,4-HEXADIYNYLIDENE)-3-ACETOXY-4-HYDROXY-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$NAME: (2Z)-2-(2,4-HEXADIYNYLIDENE)-3-ACETOXY-4-HYDROXY-1,6-DIOXASPIRO(4,5)DECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₈O₅
CH$EXACT_MASS: 290.11542
CH$SMILES: CC#CC#CC([H])=C(O1)C(OC(C)=O)C(O)C(C2)(OCCC2)1
CH$IUPAC: InChI=1S/C16H18O5/c1-3-4-5-6-9-13-14(20-12(2)17)15(18)16(21-13)10-7-8-11-19-16/h9,14-15,18H,7-8,10-11H2,1-2H3/b13-9-
CH$LINK: INCHIKEY GSEJYTXIPBKHKH-LCYFTJDESA-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$SPLASH: splash10-0006-9620000000-e932e61cc1630e80b6b0
PK$NUM_PEAK: 151
PK$PEAK: m/z int. rel.int.
  41 33 330
  42 8 80
  43 99.99 999
  44 0.7 7
  45 11 110
  46 5 50
  47 18 180
  48 1.6 16
  49 21 210
  50 13 130
  51 12 120
  52 0.5 5
  53 7 70
  54 5 50
  55 28 280
  56 0.9 9
  57 21 210
  58 9 90
  59 6 60
  60 1.3 13
  61 5 50
  62 6 60
  63 11 110
  64 0.6 6
  65 7 70
  66 7 70
  67 17 170
  68 0.6 6
  69 11 110
  70 5 50
  71 26 260
  72 0.5 5
  73 16 160
  74 6 60
  75 10 100
  76 2.4 24
  77 18 180
  78 9 90
  79 9 90
  80 0.5 5
  81 9 90
  82 7 70
  83 55 550
  84 1.6 16
  85 31 310
  86 12 120
  87 7 70
  88 0.4 4
  89 7 70
  90 9 90
  91 9 90
  92 0.6 6
  93 5 50
  94 4 40
  95 10 100
  96 0.4 4
  97 9 90
  98 6 60
  99 4 40
  100 0.4 4
  101 17 170
  102 6 60
  103 6 60
  104 1 10
  105 7 70
  106 5 50
  107 6 60
  108 0.5 5
  109 5 50
  110 3 30
  111 6 60
  112 0.3 3
  113 64 640
  114 14 140
  115 7 70
  116 0.4 4
  117 13 130
  118 8 80
  119 11 110
  121 0.5 5
  125 9 90
  126 31 310
  127 16 160
  128 0.7 7
  129 6 60
  130 4 40
  131 7 70
  132 0.5 5
  133 5 50
  134 3 30
  135 3 30
  136 6 60
  137 7 70
  141 5 50
  143 9 90
  144 0.6 6
  145 9 90
  146 7 70
  147 5 50
  148 0.5 5
  149 10 100
  153 5 50
  155 4 40
  156 0.4 4
  157 5 50
  158 4 40
  159 7 70
  160 0.7 7
  161 7 70
  162 3 30
  163 3 30
  164 0.3 3
  165 3 30
  166 3 30
  167 3 30
  168 0.7 7
  169 5 50
  171 5 50
  172 7 70
  173 0.9 9
  174 7 70
  175 4 40
  177 3.3 33
  178 4.2 42
  179 7 70
  183 4 40
  184 5 50
  185 0.9 9
  186 5 50
  187 9 90
  188 4 40
  201 0.9 9
  202 9 90
  203 4 40
  211 3 30
  212 0.6 6
  213 5 50
  214 3 30
  215 3 30
  220 0.4 4
  229 5 50
  230 28 280
  231 9 90
  232 0.3 3
  247 3 30
  248 5 50
  272 3 30
  273 0.2 2
  290 57 570
  291 14 140
  292 3 30
//