ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001757
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID 2-ETHYLHEXYLMETHYL ESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID 2-ETHYLHEXYLMETHYL ESTER
CH$NAME: METHYL(2-ETHYLHEXYL) PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₄O₄
CH$EXACT_MASS: 292.16746
CH$SMILES: CCCCC(CC)COC(=O)c(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C17H24O4/c1-4-6-9-13(5-2)12-21-17(19)15-11-8-7-10-14(15)16(18)20-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3
CH$LINK: INCHIKEY MQYNKBGLFNKJPL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20880902

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$SPLASH: splash10-03di-4900000000-6b3c26be16d0aaa7e0af
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  28 1.01 10
  41 3.25 33
  42 2.69 27
  43 8.11 81
  55 5.78 58
  56 5.62 56
  57 6.96 70
  68 0.43 4
  69 2.81 28
  70 31.52 315
  71 5.45 55
  77 2.3 23
  82 1.61 16
  83 11.17 112
  84 5.34 53
  91 0.57 6
  92 2.37 24
  97 0.51 5
  104 1.05 11
  105 1.77 18
  112 12.02 120
  113 1.73 17
  132 1.22 12
  133 1.26 13
  135 2.93 29
  136 1.8 18
  149 45.01 450
  150 4.34 43
  151 0.3 3
  162 0.37 4
  163 99.99 999
  164 11.39 114
  165 1.1 11
  181 22.83 228
  182 2.31 23
  293 2.59 26
  294 0.39 4
//