ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006241
RECORD_TITLE: DIOCTYL PHTHALATE; 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$NAME: DIOCTYL PHTHALATE
CH$NAME: BIS(2-ETHYLHEXYL) PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₈O₄
CH$EXACT_MASS: 390.27701
CH$SMILES: CCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCCCCC
CH$IUPAC: InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
CH$LINK: CAS 117-81-7
CH$LINK: INCHIKEY MQIUGAXCHLFZKX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021956

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-6910000000-d66b3b7c8cc64102dea3
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  43 0.78 8
  45 0.2 2
  50 0.88 9
  51 0.27 3
  52 0.25 3
  53 0.96 10
  54 1.15 12
  55 14.07 141
  56 6.56 66
  57 34.96 350
  58 1.37 14
  63 0.23 2
  65 1.3 13
  66 0.25 3
  67 1.03 10
  68 1.11 11
  69 6.52 65
  70 19.53 195
  71 22.65 227
  72 1.6 16
  73 0.27 3
  74 0.25 3
  75 0.32 3
  76 2.82 28
  77 1.21 12
  78 0.51 5
  79 0.58 6
  81 0.99 10
  82 1.48 15
  83 6.25 63
  84 3.66 37
  85 0.56 6
  91 0.42 4
  92 0.23 2
  93 1.93 19
  94 0.22 2
  95 0.35 4
  97 0.51 5
  98 0.28 3
  104 6.8 68
  105 2.14 21
  106 0.37 4
  109 0.22 2
  110 0.61 6
  111 0.56 6
  112 9.8 98
  113 12.39 124
  114 1.2 12
  115 0.24 2
  121 1.4 14
  122 1.82 18
  123 0.68 7
  132 2.41 24
  133 0.85 9
  148 0.4 4
  149 99.99 999
  150 11.88 119
  151 1.32 13
  162 0.61 6
  163 0.4 4
  167 39 390
  168 3.96 40
  169 0.32 3
  179 0.24 2
  180 0.31 3
  261 0.49 5
  262 0.42 4
  279 18.23 182
  280 3.49 35
  281 0.44 4
  390 0.3 3
//