ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005820
RECORD_TITLE: BIS(2-ETHYLHEXYL) PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BIS(2-ETHYLHEXYL) PHTHALATE
CH$NAME: PHTHALIC ACID BIS(2-ETHYLHEXYL) ESTER
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00kb-2900000000-d4640fc703db7328fd51
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  43 1.34 13
  56 2.27 23
  57 11.25 113
  69 1.07 11
  70 13.25 133
  71 14.26 143
  82 1.37 14
  83 6.32 63
  84 4.16 42
  112 12.9 129
  113 19.8 198
  114 1.65 17
  149 99.99 999
  150 11.92 119
  151 1.3 13
  167 60.66 607
  168 5.51 55
  279 10.39 104
  280 1.89 19
  390 0.05 1
//