ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009889
RECORD_TITLE: METHYL 3,5-DIHYDRO-3-ETHENYL-5-METHYL-6-HEPTENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 3,5-DIHYDRO-3-ETHENYL-5-METHYL-6-HEPTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O₄
CH$EXACT_MASS: 214.12051
CH$SMILES: COC(=O)CC(O)(C=C)CC(C)(O)C=C
CH$IUPAC: InChI=1S/C11H18O4/c1-5-10(3,13)8-11(14,6-2)7-9(12)15-4/h5-6,13-14H,1-2,7-8H2,3-4H3
CH$LINK: INCHIKEY DBGDHNKKUGAQJO-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0006-9700000000-028deddf0d481a5f0883
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  27 4.5 45
  28 6.3 63
  29 4.2 42
  39 6.6 66
  41 14.8 148
  42 6.2 62
  43 99.99 999
  44 4.8 48
  53 3 30
  54 2 20
  55 14 140
  56 2.8 28
  57 3.8 38
  58 2 20
  59 9.5 95
  67 6.3 63
  68 7.7 77
  69 12 120
  70 5.6 56
  71 12.8 128
  73 2 20
  74 2.8 28
  79 4.8 48
  80 2.8 28
  81 9 90
  84 14.2 142
  85 8.5 85
  93 3 30
  94 8.3 83
  95 12.4 124
  96 2 20
  97 18 180
  98 61.4 614
  99 10.5 105
  101 4.6 46
  111 22 220
  112 26.3 263
  113 10 100
  117 2.8 28
  122 7 70
  123 3.2 32
  125 15.5 155
  126 21 210
  127 3.8 38
  129 6.6 66
  130 2.6 26
  139 11 110
  140 29.8 298
  141 30.3 303
  142 2 20
  143 9 90
  144 5.3 53
  154 32 320
  155 20.6 206
  156 1.5 15
  165 5.7 57
  171 5.5 55
  172 17.2 172
  173 1.5 15
  182 2 20
  183 4 40
  214 2.2 22
//