ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010705
RECORD_TITLE: (2Z)-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$NAME: (2Z)-2-(2,4-HEXADIYNYLIDENE)-1,6-DIOXASPIRO(4,4)NON-3-ENE
CH$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-GHXNOFRVSA-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$SPLASH: splash10-0udi-6930000000-856eaa2c118ac8ca43aa
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  41 12 120
  42 12 120
  43 5 50
  50 2.25 23
  51 12.5 125
  52 5 50
  53 8 80
  54 1.15 12
  55 12.5 125
  62 6 60
  63 10 100
  64 0.4 4
  65 7 70
  66 4 40
  67 8 80
  68 0.4 4
  69 5.5 55
  74 11 110
  75 12 120
  76 2.5 25
  77 11 110
  78 4 40
  79 5 50
  82 0.95 10
  83 6 60
  85 4 40
  86 3 30
  87 0.5 5
  88 4 40
  89 4 40
  91 6 60
  95 0.5 5
  96 5.5 55
  100 4 40
  101 4 40
  102 1.75 18
  103 6 60
  104 4.5 45
  105 2.5 25
  113 0.2 2
  114 3 30
  115 26.5 265
  116 11.5 115
  117 0.65 7
  119 5.5 55
  124 3.5 35
  127 9 90
  128 1.9 19
  129 10.5 105
  130 12 120
  131 6.5 65
  132 0.25 3
  133 2 20
  139 3 30
  141 12 120
  142 0.35 4
  143 9 90
  144 11 110
  145 4 40
  152 0.3 3
  153 4 40
  155 5 50
  156 6 60
  157 2.1 21
  158 15 150
  159 7.5 75
  169 14 140
  170 2.7 27
  171 18.5 185
  172 13.5 135
  173 3.5 35
  183 0.4 4
  184 4 40
  185 15 150
  186 3.5 35
  199 2.2 22
  200 99.99 999
  201 16.5 165
  202 2 20
//