ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003309
RECORD_TITLE: DI(2-ETHYL HEXYL)PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DI(2-ETHYL HEXYL)PHTHALATE
CH$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$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-5900000000-8fe49d0875c15c9a186b
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  43 20.4 204
  50 1.3 13
  54 14.1 141
  55 7.2 72
  56 30.5 305
  57 1.8 18
  65 1.6 16
  70 1.7 17
  71 20 200
  72 1.3 13
  76 2.6 26
  77 0.1 1
  82 2 20
  83 7.7 77
  84 4 40
  93 0.13 1
  104 4.2 42
  105 2.1 21
  112 8.7 87
  113 1.24 12
  114 1.3 13
  121 1.3 13
  122 1.3 13
  132 0.16 2
  148 1.1 11
  149 99.99 999
  150 10.2 102
  151 0.11 1
  167 40.9 409
  168 3.2 32
  223 1 10
  279 2.36 24
  280 3.7 37
//