ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003085
RECORD_TITLE: DIOCTYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: DIOCTYL PHTHALATE
CH$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$LINK: INCHIKEY MQIUGAXCHLFZKX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021956

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$SPLASH: splash10-052e-9600000000-9c2d4146e7626a197b54
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
  15 0.7 7
  16 1.2 12
  17 1.5 15
  18 0.43 4
  19 0.8 8
  20 0.1 1
  26 0.5 5
  27 0.92 9
  28 23 230
  29 22 220
  30 0.7 7
  31 0.06 1
  32 1.2 12
  35 0.1 1
  37 0.1 1
  38 0.02 0
  39 4.5 45
  40 1 10
  41 30 300
  42 0.54 5
  43 30 300
  44 1.9 19
  45 0.4 4
  46 0.01 0
  49 0.1 1
  50 1.5 15
  51 0.9 9
  52 0.03 0
  53 1.7 17
  54 1.5 15
  55 18.5 185
  56 0.91 9
  57 47 470
  58 2.3 23
  59 0.3 3
  63 0.01 0
  64 0.1 1
  65 2.7 27
  66 0.4 4
  67 0.14 1
  68 1.2 12
  69 7 70
  70 28 280
  71 0.28 3
  72 2.6 26
  73 0.2 2
  74 0.2 2
  75 0.05 1
  76 5.4 54
  77 2.1 21
  78 0.2 2
  79 0.04 0
  80 0.1 1
  81 0.7 7
  82 1.4 14
  83 0.09 1
  84 4.2 42
  85 0.7 7
  86 0.1 1
  91 0.03 0
  92 0.2 2
  93 1.7 17
  94 0.2 2
  95 0.02 0
  96 0.1 1
  97 0.6 6
  98 0.2 2
  99 0.02 0
  100 0.2 2
  103 0.1 1
  104 9.2 92
  105 0.03 0
  106 0.3 3
  110 0.2 2
  111 0.2 2
  112 0.89 9
  113 11 110
  114 0.2 2
  115 0.2 2
  121 0.15 2
  122 1.9 19
  123 0.6 6
  128 0.3 3
  129 0.02 0
  132 3.3 33
  133 1.5 15
  134 0.7 7
  135 0.05 1
  136 0.2 2
  147 0.2 2
  148 0.6 6
  149 99.99 999
  150 16.5 165
  151 1.3 13
  152 0.1 1
  162 0.07 1
  163 0.6 6
  164 0.3 3
  165 0.3 3
  166 0.03 0
  167 26 260
  168 2.5 25
  169 0.4 4
  175 0.02 0
  176 0.1 1
  179 0.1 1
  180 0.2 2
  191 0.01 0
  192 0.1 1
  196 0.1 1
  197 0.1 1
  199 0.01 0
  261 0.5 5
  262 0.2 2
  279 11 110
  280 0.02 0
  281 0.3 3
//