ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001762
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID METHYL OCTYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID METHYL OCTYLESTER
CH$NAME: METHYLOCTYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₄O₄
CH$EXACT_MASS: 292.16746
CH$SMILES: CCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OC
CH$IUPAC: InChI=1S/C17H24O4/c1-3-4-5-6-7-10-13-21-17(19)15-12-9-8-11-14(15)16(18)20-2/h8-9,11-12H,3-7,10,13H2,1-2H3
CH$LINK: INCHIKEY SJMMDRTYFFDPBJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50423705

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$SPLASH: splash10-03dl-1950000000-1a16bc84d7d4d5b7c3e7
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  63 0.31 3
  64 0.14 1
  65 0.68 7
  66 0.72 7
  67 0.78 8
  71 1.38 14
  74 0.59 6
  75 4.81 48
  77 0.9 9
  78 0.39 4
  82 0.11 1
  83 0.11 1
  84 0.79 8
  85 2.43 24
  90 15.18 152
  92 4.49 45
  93 0.44 4
  103 0.11 1
  104 1.33 13
  105 5.08 51
  106 0.79 8
  107 0.22 2
  109 0.2 2
  110 0.27 3
  111 2.3 23
  112 0.94 9
  113 2 20
  114 0.13 1
  118 0.28 3
  119 0.44 4
  120 0.74 7
  121 0.85 9
  122 0.39 4
  132 0.24 2
  133 2.2 22
  134 0.23 2
  135 4.49 45
  136 0.84 8
  137 0.65 7
  141 0.12 1
  143 0.48 5
  144 0.26 3
  145 1.15 12
  147 1.48 15
  149 37.56 376
  150 4.04 40
  151 0.62 6
  152 0.11 1
  155 0.15 2
  163 99.99 999
  164 37.02 370
  165 7.58 76
  166 0.49 5
  173 0.23 2
  175 1.08 11
  176 0.19 2
  177 1.76 18
  178 0.21 2
  179 0.14 1
  181 11.43 114
  182 1.18 12
  183 0.15 2
  187 1.6 16
  188 0.22 2
  189 6.7 67
  190 0.87 9
  191 0.47 5
  195 0.16 2
  196 0.1 1
  201 0.15 2
  203 0.23 2
  207 0.4 4
  208 0.24 2
  211 0.39 4
  221 1.62 16
  222 0.23 2
  223 0.25 3
  225 0.17 2
  233 2.9 29
  235 0.18 2
  236 0.12 1
  239 0.33 3
  249 0.2 2
  257 0.18 2
  259 0.76 8
  261 30.3 303
  262 7.49 75
  263 1.02 10
  264 0.15 2
  267 0.13 1
  290 2.91 29
  293 81.95 820
  295 7.28 73
  296 0.92 9
  297 0.28 3
  307 1.23 12
  308 0.25 3
  309 0.18 2
  319 0.23 2
  321 0.42 4
  331 1.83 18
  332 0.64 6
  333 4.75 48
  334 1.06 11
  335 0.52 5
//