ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001760
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID HEXYL METHYLESTER; CI-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$NAME: 1,2-BENZENEDICARBOXYLIC ACID HEXYL METHYLESTER
CH$NAME: METHYLHEXYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀O₄
CH$EXACT_MASS: 264.13616
CH$SMILES: CCCCCCOC(=O)c(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C15H20O4/c1-3-4-5-8-11-19-15(17)13-10-7-6-9-12(13)14(16)18-2/h6-7,9-10H,3-5,8,11H2,1-2H3
CH$LINK: INCHIKEY XXLNRTDEQNSKEZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10188181

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-03xr-0940000000-89750ab41b1bd5725599
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  61 0.27 3
  63 0.3 3
  66 0.22 2
  68 0.21 2
  71 1.05 11
  79 0.75 8
  81 0.23 2
  83 1.75 18
  84 1.82 18
  85 5.66 57
  86 0.53 5
  91 0.29 3
  92 0.6 6
  95 0.19 2
  97 0.2 2
  99 0.4 4
  100 0.21 2
  101 0.47 5
  105 0.98 10
  109 0.1 1
  121 0.22 2
  123 0.57 6
  133 1.28 13
  135 1.11 11
  136 0.42 4
  137 1.17 12
  147 0.46 5
  149 40.92 409
  150 3.8 38
  151 0.74 7
  163 99.99 999
  164 10.57 106
  165 3.44 34
  166 0.15 2
  175 0.19 2
  177 0.33 3
  181 4.55 46
  182 0.32 3
  189 1.15 12
  195 0.16 2
  205 0.41 4
  207 0.21 2
  221 0.42 4
  233 13.35 134
  234 2.05 21
  235 0.43 4
  264 0.12 1
  265 52.55 526
  266 12.04 120
  267 1.2 12
  279 0.19 2
//