ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008071
RECORD_TITLE: ADIPIC ACID DIALLYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ADIPIC ACID DIALLYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₄
CH$EXACT_MASS: 226.12051
CH$SMILES: C=CCOC(=O)CCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C12H18O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-4H,1-2,5-10H2
CH$LINK: INCHIKEY FPODCVUTIPDRTE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0062763

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03xu-6900000000-63cd0ef41425aa54875d
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  29 1.46 15
  39 3.65 37
  40 1.02 10
  41 77.81 778
  42 3.5 35
  43 10.37 104
  54 3.21 32
  55 21.61 216
  56 5.99 60
  57 5.99 60
  58 2.48 25
  59 4.38 44
  60 1.02 10
  67 3.94 39
  68 2.04 20
  69 3.94 39
  70 1.02 10
  71 1.75 18
  73 1.61 16
  79 1.9 19
  80 4.96 50
  81 16.35 164
  82 2.48 25
  83 16.93 169
  84 13.72 137
  85 6.72 67
  87 3.5 35
  94 1.31 13
  95 6.13 61
  96 1.9 19
  97 1.46 15
  98 3.07 31
  99 10.22 102
  100 12.7 127
  101 20.88 209
  102 1.75 18
  109 3.5 35
  110 1.17 12
  111 99.99 999
  112 30.66 307
  113 7.88 79
  114 1.17 12
  122 1.17 12
  123 2.48 25
  127 13.29 133
  128 1.61 16
  129 24.96 250
  130 1.9 19
  139 1.17 12
  140 8.91 89
  141 10.51 105
  142 4.82 48
  143 3.36 34
  150 1.75 18
  153 18.39 184
  154 2.19 22
  156 2.48 25
  167 1.02 10
  168 5.99 60
  169 65.84 658
  170 7.01 70
  171 1.46 15
  185 8.91 89
  186 1.31 13
  226 2.04 20
//