ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002176
RECORD_TITLE: TRANS-2-BUTENE-1,4-DICARBOXYLIC ACID DIMETHYL ESTER; 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$NAME: TRANS-2-BUTENE-1,4-DICARBOXYLIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂O₄
CH$EXACT_MASS: 172.07356
CH$SMILES: COC(=O)CC=CCC(=O)OC
CH$IUPAC: InChI=1S/C8H12O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-4H,5-6H2,1-2H3/b4-3+
CH$LINK: INCHIKEY CPSQPCGPYWRIPB-ONEGZZNKSA-N

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0a4l-9600000000-44e4fd3fc9889abd1c39
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  37 0.9 9
  38 2.3 23
  39 21.2 212
  40 0.14 1
  41 39.4 394
  42 3.7 37
  43 3.7 37
  44 0.04 0
  49 0.4 4
  50 3 30
  51 4.9 49
  52 0.44 4
  53 24 240
  54 26.8 268
  55 10.9 109
  59 99.99 999
  60 1.4 14
  67 1.8 18
  68 3.5 35
  69 0.53 5
  71 37.6 376
  72 6.3 63
  74 1.6 16
  75 0.07 1
  79 0.7 7
  80 5.1 51
  81 22.8 228
  82 0.46 5
  83 1.4 14
  84 0.9 9
  85 3.9 39
  86 0.09 1
  87 1.1 11
  97 5.3 53
  98 4.2 42
  99 0.28 3
  101 3.5 35
  108 75.7 757
  109 4.2 42
  111 0.3 3
  112 15.8 158
  113 45.5 455
  114 3.9 39
  127 0.14 1
  130 2.5 25
  131 0.7 7
  140 85.9 859
  141 1.44 14
  142 1.6 16
  149 0.4 4
  155 1.1 11
  157 0.07 1
  172 2.3 23
  173 0.4 4
//