ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010706
RECORD_TITLE: (2E)-2-(2,4-HEXADIYNYLIDENE)-1,6-DIOXASPIRO(4,4)NON-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$NAME: (2E)-2-(2,4-HEXADIYNYLIDENE)-1,6-DIOXASPIRO(4,4)NON-3-ENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₂O₂
CH$EXACT_MASS: 200.08373
CH$SMILES: CC#CC#CC([H])=C(O1)C([H])=C([H])C(C2)(OCC2)1
CH$IUPAC: InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+
CH$LINK: INCHIKEY WTRXKCNFPMTAJV-KPKJPENVSA-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$SPLASH: splash10-0udi-8930000000-54da540e8a73fc9bf120
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  41 16 160
  42 13 130
  43 6 60
  47 0.8 8
  50 25 250
  51 16 160
  52 7 70
  53 0.9 9
  54 13 130
  55 14 140
  62 6 60
  63 1.1 11
  64 4 40
  65 8 80
  66 6 60
  67 1.15 12
  68 5.5 55
  69 6.5 65
  74 12 120
  75 1.4 14
  76 25 250
  77 16 160
  78 10.5 105
  79 1.5 15
  82 9 90
  83 23 230
  85 32 320
  86 0.4 4
  87 7 70
  88 6 60
  89 6 60
  91 1.1 11
  92 3 30
  93 3 30
  94 3 30
  95 0.6 6
  96 5.5 55
  100 3 30
  101 3 30
  102 1.9 19
  103 7 70
  104 5.5 55
  105 6 60
  106 0.6 6
  107 11.5 115
  108 7 70
  109 3 30
  113 0.3 3
  114 4 40
  115 32 320
  116 14 140
  117 0.6 6
  118 3 30
  119 2 20
  127 12 120
  128 2 20
  129 22 220
  130 15.5 155
  131 7 70
  132 0.4 4
  133 3 30
  139 4 40
  141 13 130
  142 0.4 4
  143 10 100
  144 13 130
  145 4.5 45
  152 0.45 5
  153 5.5 55
  155 6 60
  156 6 60
  157 1.95 20
  158 17 170
  159 8 80
  169 16.5 165
  170 2.6 26
  171 18 180
  172 14 140
  173 3 30
  183 0.3 3
  184 4.5 45
  185 16.5 165
  186 3 30
  199 1.9 19
  200 99.99 999
  201 15 150
  202 3 30
//