ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001761
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID METHYL OCTYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID METHYL OCTYLESTER
CH$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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03dj-3900000000-9785fcc4035668f03959
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  4 2.88 29
  29 2.97 30
  39 0.36 4
  41 5.02 50
  42 2.4 24
  43 5.97 60
  44 0.4 4
  54 1.17 12
  55 11.72 117
  56 12.23 122
  57 8.59 86
  58 0.22 2
  65 0.54 5
  67 0.79 8
  68 1.7 17
  69 8.43 84
  70 10.96 110
  71 4.61 46
  72 0.19 2
  76 1.05 11
  77 9.31 93
  78 0.81 8
  79 1.13 11
  81 0.29 3
  82 1.25 13
  83 6.2 62
  84 5.29 53
  85 0.46 5
  91 4.15 42
  92 10.13 101
  93 1.71 17
  97 0.67 7
  104 4.55 46
  105 9.24 92
  106 1.04 10
  107 0.18 2
  108 0.18 2
  109 0.49 5
  110 0.13 1
  111 0.44 4
  112 3.76 38
  113 0.65 7
  118 0.72 7
  119 0.24 2
  120 1.32 13
  121 1.65 17
  122 1.14 11
  123 2.61 26
  132 1.41 14
  133 3.48 35
  134 0.65 7
  135 10.37 104
  136 5.66 57
  137 0.59 6
  147 2.87 29
  149 91.57 916
  150 16.6 166
  151 1.96 20
  152 0.12 1
  163 99.99 999
  164 30.2 302
  165 3.58 36
  166 0.22 2
  176 0.77 8
  177 0.11 1
  179 0.17 2
  181 41.24 412
  182 4.68 47
  183 0.65 7
  207 0.21 2
  208 0.89 9
  221 0.13 1
  233 0.38 4
  249 0.31 3
  261 1.74 17
  262 0.26 3
  293 8.73 87
  295 1.2 12
  296 0.16 2
//