ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010622
RECORD_TITLE: DIBUTYL MALEATE; 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$NAME: DIBUTYL MALEATE
CH$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$LINK: INCHIKEY JBSLOWBPDRZSMB-FPLPWBNLSA-N
CH$LINK: COMPTOX DTXSID3026724

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$SPLASH: splash10-0a4j-9400000000-bc8810ae4833bc00e69a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  28 1.7 17
  29 4.8 48
  41 8.2 82
  55 0.27 3
  56 19.2 192
  57 68.8 688
  58 3.1 31
  72 0.1 1
  75 6.2 62
  82 2.4 24
  99 99.99 999
  100 2.12 21
  101 2.1 21
  113 1 10
  117 51 510
  118 0.27 3
  126 2.1 21
  127 2.1 21
  139 1 10
  153 0.14 1
  154 7.2 72
  155 15.1 151
  156 5 50
  157 0.17 2
  171 2.1 21
  172 1.7 17
  173 16.8 168
  174 1.7 17
//