ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007332
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$NAME: ADIPIC ACID DIALLYL ESTER
CH$NAME: HEXANEDIOIC ACID DI-2-PROPENYL 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: CAS 2998-04-1
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-06r6-9500000000-6b1cdc739a4549b86b11
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  15 1.8 18
  26 1.17 12
  27 8.26 83
  28 8.81 88
  29 8.14 81
  31 1.78 18
  39 19.22 192
  40 2.97 30
  41 99.99 999
  42 4.96 50
  43 9.5 95
  53 1.51 15
  54 2.19 22
  55 25.48 255
  56 5.25 53
  57 7.19 72
  58 1.76 18
  59 4.17 42
  67 2.77 28
  68 1.51 15
  69 2.75 28
  71 1.17 12
  79 1.17 12
  80 2.68 27
  81 10.72 107
  82 1.16 12
  83 12.65 127
  84 7.74 77
  85 3.67 37
  95 3.85 39
  98 1.37 14
  99 5.63 56
  100 5.49 55
  101 10.58 106
  109 1.65 17
  111 61.62 616
  112 3.93 39
  123 1.16 12
  127 7 70
  129 10.03 100
  130 4.03 40
  131 6.2 62
  132 2.22 22
  143 8.2 82
  158 2.85 29
  159 35.75 358
  160 3.77 38
  161 1.01 10
  175 1.07 11
//