ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010708
RECORD_TITLE: (2Z)-2-(2,4-HEXADIYNYLIDENE)-3-ISOVALERYLOXY-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$NAME: (2Z)-2-(2,4-HEXADIYNYLIDENE)-3-ISOVALERYLOXY-4-HYDROXY-1,6-DIOXASPIRO(4,5)DECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₄O₅
CH$EXACT_MASS: 332.16237
CH$SMILES: CC#CC#CC([H])=C(O1)C(OC(=O)CC(C)C)C(O)C(C2)(OCCC2)1
CH$IUPAC: InChI=1S/C19H24O5/c1-4-5-6-7-10-15-17(23-16(20)13-14(2)3)18(21)19(24-15)11-8-9-12-22-19/h10,14,17-18,21H,8-9,11-13H2,1-3H3/b15-10-
CH$LINK: INCHIKEY LEOZNWWIPMVKHH-GDNBJRDFSA-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$SPLASH: splash10-0a4i-9410000000-21c9743e6efc2a570521
PK$NUM_PEAK: 119
PK$PEAK: m/z int. rel.int.
  41 30 300
  42 6 60
  43 30.5 305
  44 0.2 2
  45 4 40
  50 5 50
  51 6 60
  52 0.2 2
  53 4 40
  54 2 20
  55 26.5 265
  56 0.4 4
  57 99.99 999
  58 8 80
  59 4 40
  60 0.3 3
  62 1.5 15
  63 4 40
  64 1.5 15
  65 0.4 4
  67 10 100
  68 2 20
  69 9 90
  70 0.15 2
  71 15 150
  73 8.5 85
  74 2 20
  75 0.35 4
  76 11 110
  77 11.5 115
  78 3 30
  79 0.4 4
  80 1.5 15
  81 3 30
  83 8.5 85
  85 9.35 94
  86 6 60
  87 2 20
  89 2 20
  90 0.3 3
  91 4.5 45
  93 2 20
  97 3.5 35
  98 0.15 2
  101 12 120
  102 3 30
  103 3.5 35
  104 0.45 5
  105 3 30
  111 3.5 35
  113 35.5 355
  114 0.8 8
  115 3.5 35
  117 2.5 25
  118 4 40
  119 0.45 5
  121 2 20
  125 3.5 35
  126 21 210
  127 0.7 7
  128 2.5 25
  129 2 20
  130 1.5 15
  131 0.35 4
  132 2 20
  133 2 20
  135 2 20
  136 3.45 35
  137 4.5 45
  141 2 20
  143 3 30
  144 0.15 2
  145 2.5 25
  146 3 30
  147 2 20
  148 0.2 2
  149 1.5 15
  153 1.5 15
  155 1.5 15
  157 0.2 2
  158 2 20
  159 3.5 35
  160 2.5 25
  161 0.4 4
  162 1 10
  163 2 20
  164 2.5 25
  169 0.15 2
  171 1.5 15
  172 2.5 25
  173 4 40
  174 0.4 4
  177 2 20
  183 1.5 15
  184 2 20
  185 0.45 5
  186 2 20
  187 4.5 45
  188 2 20
  191 0.15 2
  197 1.5 15
  199 1 10
  201 4 40
  202 0.5 5
  203 1.5 15
  210 1 10
  211 1.5 15
  212 0.2 2
  213 1.5 15
  220 16.5 165
  221 3.5 35
  230 1.5 15
  231 6.5 65
  248 1.5 15
  249 1.5 15
  314 0.1 1
  315 1 10
  332 3.5 35
  333 3.5 35
//