ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008514
RECORD_TITLE: DIBUTYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIBUTYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂O₄
CH$EXACT_MASS: 278.15181
CH$SMILES: CCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCC
CH$IUPAC: InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
CH$LINK: INCHIKEY DOIRQSBPFJWKBE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021781

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0002-5900000000-bb309d93583ab774d1f9
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 6.08 61
  29 8.05 81
  31 3.48 35
  39 4.21 42
  41 14.63 146
  42 1.69 17
  43 3.81 38
  50 2.33 23
  55 2.24 22
  56 9.73 97
  57 6.77 68
  65 3.94 39
  76 6.8 68
  77 1.44 14
  93 1.97 20
  104 7.2 72
  105 2.39 24
  121 1.59 16
  122 1.31 13
  149 99.99 999
  150 9.59 96
  205 4.29 43
  223 4.97 50
//