ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001755
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BUTYL METHYLESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID BUTYL METHYLESTER
CH$NAME: METHYLBUTYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₄
CH$EXACT_MASS: 236.10486
CH$SMILES: CCCCOC(=O)c(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C13H16O4/c1-3-4-9-17-13(15)11-8-6-5-7-10(11)12(14)16-2/h5-8H,3-4,9H2,1-2H3
CH$LINK: INCHIKEY XXFSYINDUHLBIL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7074325

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03dj-1900000000-9e11d3e82f5d12221cf1
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  28 0.38 4
  29 2.27 23
  41 4.36 44
  42 0.34 3
  43 1.19 12
  55 0.64 6
  56 7.38 74
  57 2.37 24
  65 0.65 7
  76 0.55 6
  77 6.81 68
  78 0.47 5
  79 0.83 8
  91 2.95 30
  92 7.24 72
  93 1.5 15
  104 3.22 32
  105 8.08 81
  106 0.96 10
  112 0.86 9
  118 0.57 6
  119 0.16 2
  120 1.04 10
  121 1.67 17
  122 0.58 6
  123 0.69 7
  132 0.83 8
  133 3.29 33
  134 0.43 4
  135 8.8 88
  136 3.44 34
  137 0.31 3
  147 0.82 8
  148 0.14 1
  149 74.03 740
  150 8.58 86
  151 0.97 10
  160 0.73 7
  161 0.23 2
  163 99.99 999
  164 18.67 187
  165 2.14 21
  166 0.1 1
  181 19.39 194
  182 1.88 19
  183 0.21 2
  191 0.12 1
  205 3.2 32
  206 0.41 4
  207 0.18 2
  225 0.1 1
  236 1.98 20
  237 7.49 75
  238 1.02 10
  239 0.11 1
//