ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001759
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID HEXYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID HEXYL METHYLESTER
CH$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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03dj-2900000000-4cc3259411230c257b87
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  17 0.13 1
  18 5.29 53
  27 0.82 8
  28 4.25 43
  29 0.94 9
  32 0.62 6
  42 3.12 31
  43 9.59 96
  55 4.23 42
  56 9.26 93
  57 0.81 8
  69 3.22 32
  77 3.42 34
  83 0.34 3
  84 2.43 24
  85 0.86 9
  91 1.11 11
  92 2.89 29
  93 0.3 3
  104 1.34 13
  105 2.88 29
  106 0.23 2
  121 0.26 3
  132 0.46 5
  133 1.15 12
  135 3.64 36
  136 1.93 19
  149 80.66 807
  150 7.95 80
  151 0.73 7
  163 99.99 999
  164 11.54 115
  165 1.22 12
  181 18.3 183
  182 1.7 17
//