ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003395
RECORD_TITLE: DIBUTYL MALEATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4j-9300000000-5a826c79fadb0ad7d141
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  45 2.8 28
  53 15.8 158
  54 12.4 124
  55 45.6 456
  56 78 780
  57 4.2 42
  71 4.2 42
  72 0.28 3
  75 5.5 55
  82 9.4 94
  99 99.99 999
  100 2.91 29
  101 2.4 24
  117 63.2 632
  118 2.8 28
  127 0.22 2
  154 6.6 66
  155 17.1 171
  156 4 40
  173 2.08 21
  174 2.1 21
//