ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010711
RECORD_TITLE: (2Z)-2-(2,4-HEXADIYNYLIDENE)-3,4-DIHYDROXY-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$NAME: (2Z)-2-(2,4-HEXADIYNYLIDENE)-3,4-DIHYDROXY-1,6-DIOXASPIRO(4,5)DECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₆O₄
CH$EXACT_MASS: 248.10486
CH$SMILES: CC#CC#CC([H])=C(O1)C(O)C(O)C(C2)(OCCC2)1
CH$IUPAC: InChI=1S/C14H16O4/c1-2-3-4-5-8-11-12(15)13(16)14(18-11)9-6-7-10-17-14/h8,12-13,15-16H,6-7,9-10H2,1H3/b11-8-
CH$LINK: INCHIKEY YCXFYWBMQJMDBX-FLIBITNWSA-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$SPLASH: splash10-0lxx-9400000000-f96c5862138c3408e052
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
  41 65 650
  42 16.5 165
  43 43 430
  44 0.75 8
  45 13 130
  50 32 320
  51 32 320
  52 1.15 12
  53 13.5 135
  54 4 40
  55 37 370
  56 0.7 7
  57 24 240
  58 33 330
  59 7 70
  60 0.7 7
  61 2 20
  62 4.5 45
  63 12 120
  64 0.6 6
  65 9.5 95
  66 4.5 45
  67 30 300
  68 1 10
  69 10.5 105
  70 7.5 75
  71 29 290
  72 0.55 6
  73 30.5 305
  74 7.5 75
  75 10.5 105
  76 3 30
  77 28 280
  78 9.5 95
  79 18.5 185
  80 0.8 8
  81 8 80
  82 3 30
  83 13.5 135
  84 0.45 5
  85 30 300
  86 4.5 45
  87 9 90
  88 0.45 5
  89 10 100
  90 15.5 155
  91 10.5 105
  92 0.2 2
  93 3 30
  94 2 20
  95 14 140
  96 0.45 5
  97 7 70
  98 4 40
  99 3 30
  101 0.6 6
  102 3.5 35
  103 4.5 45
  104 11 110
  105 0.5 5
  106 4.5 45
  107 13 130
  108 5 50
  109 0.25 3
  111 3 30
  112 2 20
  113 99.99 999
  114 5.9 59
  115 9.5 95
  116 2.5 25
  117 4 40
  118 0.9 9
  119 5 50
  121 9 90
  122 2.5 25
  125 0.5 5
  126 18 180
  127 5 50
  128 3 30
  129 0.3 3
  131 5 50
  132 3 30
  133 4.5 45
  134 0.2 2
  135 10 100
  136 50 500
  137 5 50
  141 0.35 4
  143 7 70
  144 2.5 25
  145 5 50
  146 0.4 4
  147 2 20
  148 2 20
  149 2 20
  159 0.3 3
  160 2 20
  161 3 30
  173 4.5 45
  174 0.3 3
  175 2 20
  202 2 20
  203 2 20
  230 0.2 2
  231 4 40
  248 21 210
  249 4 40
//