ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009001
RECORD_TITLE: DIBUTYL FUMARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIBUTYL FUMARATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₄
CH$EXACT_MASS: 228.13616
CH$SMILES: CCCCOC(=O)C=CC(=O)OCCCC
CH$IUPAC: InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
CH$LINK: CAS 105-75-9
CH$LINK: INCHIKEY JBSLOWBPDRZSMB-BQYQJAHWSA-N
CH$LINK: COMPTOX DTXSID7021865

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0aor-9400000000-5e930279227a33a98e53
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  26 3.51 35
  27 14.37 144
  31 9.95 100
  40 2.21 22
  41 36.67 367
  42 7.38 74
  43 15.43 154
  44 5.11 51
  45 3.01 30
  53 6.75 68
  54 13.81 138
  55 19.77 198
  56 96.93 969
  57 33.98 340
  58 2.2 22
  71 5.56 56
  72 4.69 47
  73 1.71 17
  80 1.48 15
  81 8.1 81
  82 11.18 112
  97 2.66 27
  98 3.01 30
  99 36.49 365
  100 14.65 147
  101 1.93 19
  109 2.55 26
  117 98.81 988
  118 4.6 46
  126 2.13 21
  127 8.8 88
  157 2.1 21
  173 34.42 344
  174 3.22 32
//