ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001758
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID 2-ETHYLHEXYLMETHYL ESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID 2-ETHYLHEXYLMETHYL ESTER
CH$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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-03dl-0920000000-57319cd725d95a8bbcfe
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  64 0.15 2
  65 0.25 3
  66 0.14 1
  69 0.93 9
  70 4.75 48
  71 8.68 87
  72 0.48 5
  74 0.25 3
  75 4.63 46
  77 0.57 6
  78 0.35 4
  82 0.37 4
  83 1.8 18
  84 1.06 11
  90 10.14 101
  92 2.3 23
  93 0.18 2
  97 0.2 2
  98 0.13 1
  99 0.18 2
  104 1.22 12
  105 3.62 36
  106 0.28 3
  107 0.25 3
  110 0.42 4
  111 5.13 51
  112 11.25 113
  113 29.98 300
  114 2.85 29
  115 0.21 2
  119 0.34 3
  120 0.59 6
  121 0.76 8
  122 3.71 37
  129 0.5 5
  131 0.32 3
  132 0.54 5
  133 2.05 21
  134 0.25 3
  135 2.34 23
  136 0.76 8
  137 0.93 9
  138 0.11 1
  143 0.44 4
  144 0.11 1
  145 1.12 11
  147 4.12 41
  149 57.47 575
  150 8.07 81
  151 1.13 11
  152 0.15 2
  157 0.17 2
  159 1.1 11
  163 99.99 999
  164 31.22 312
  165 5.63 56
  166 0.93 9
  175 0.67 7
  176 0.14 1
  177 0.97 10
  179 0.87 9
  181 66.66 667
  182 17.31 173
  183 1.93 19
  184 0.18 2
  187 0.7 7
  188 0.1 1
  189 6.5 65
  190 0.77 8
  191 1.1 11
  192 0.11 1
  195 0.17 2
  205 0.11 1
  207 0.36 4
  209 0.18 2
  219 0.3 3
  221 3.34 33
  222 0.43 4
  223 2.22 22
  224 0.33 3
  233 0.8 8
  235 0.1 1
  237 0.13 1
  259 0.11 1
  261 2.94 29
  262 0.54 5
  263 0.17 2
  290 2.75 28
  293 96.61 966
  295 7.18 72
  296 1 10
  297 0.18 2
//