ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001701
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BIS(2-ETHYLHEXYL) ESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID BIS(2-ETHYLHEXYL) ESTER
CH$NAME: DI(2-ETHYLHEXYL) PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₈O₄
CH$EXACT_MASS: 390.27701
CH$SMILES: CCCCC(CC)COC(=O)c(c1)c(ccc1)C(=O)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
CH$LINK: INCHIKEY BJQHLKABXJIVAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020607

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$SPLASH: splash10-0595-9600000000-dad80efc6cf176f370ce
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  27 5.09 51
  29 16.02 160
  39 2.84 28
  41 25.45 255
  42 5.08 51
  43 38.53 385
  44 0.49 5
  50 0.64 6
  51 0.33 3
  53 0.96 10
  54 1.17 12
  55 18.28 183
  56 9.9 99
  57 57.57 576
  58 2.38 24
  65 2.39 24
  67 1.16 12
  68 1.18 12
  69 6.89 69
  70 31.05 311
  71 36.13 361
  72 1.94 19
  73 0.22 2
  75 0.22 2
  76 3.46 35
  77 1.56 16
  81 0.5 5
  82 2.16 22
  83 11.77 118
  84 5.72 57
  85 0.65 7
  93 1.91 19
  97 1.01 10
  104 5.78 58
  105 2.15 22
  111 0.28 3
  112 11.93 119
  113 18.34 183
  114 1.45 15
  121 1.97 20
  122 1.97 20
  123 0.74 7
  132 2.63 26
  133 2.73 27
  135 0.15 2
  148 0.17 2
  149 99.99 999
  150 14.09 141
  151 1.47 15
  162 0.56 6
  163 0.29 3
  167 40.34 403
  168 3.42 34
  169 0.46 5
  180 0.22 2
  261 0.35 4
  262 0.24 2
  279 11.89 119
  280 1.66 17
  281 0.17 2
  390 0.15 2
//