ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003396
RECORD_TITLE: DI(2-ETHYLHEXYL) 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$NAME: DI(2-ETHYLHEXYL) MALEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₆O₄
CH$EXACT_MASS: 340.26136
CH$SMILES: CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-
CH$LINK: INCHIKEY ROPXFXOUUANXRR-YPKPFQOOSA-N
CH$LINK: COMPTOX DTXSID2027094

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$SPLASH: splash10-0mb9-9300000000-c35d785cd385fc1ef8e2
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  53 3.6 36
  54 46.2 462
  55 22.6 226
  56 99.99 999
  57 4.7 47
  67 2.8 28
  68 2.6 26
  69 2.13 21
  70 85.5 855
  71 57.7 577
  72 3.4 34
  82 0.95 10
  83 23.9 239
  84 12.9 129
  97 2.1 21
  99 1.79 18
  100 33.1 331
  101 2.1 21
  110 4.7 47
  111 0.56 6
  112 43.6 436
  113 30.1 301
  114 2.4 24
  117 8.58 86
  118 5.2 52
  211 2.9 29
  212 3.3 33
  229 0.94 9
  341 2.6 26
//