ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001328
RECORD_TITLE: DIISOBUTYL PHTHALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DIISOBUTYL PHTHALATE
CH$NAME: PHTHALIC ACID DIISOBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂O₄
CH$EXACT_MASS: 278.15181
CH$SMILES: CC(C)COC(=O)c(c1)c(ccc1)C(=O)OCC(C)C
CH$IUPAC: InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
CH$LINK: INCHIKEY MGWAVDBGNNKXQV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9022522

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0002-2900000000-abec18892ce4da3756e0
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  29 2.74 27
  41 6.13 61
  56 2.74 27
  57 14.51 145
  65 1.75 18
  76 3.61 36
  93 2.35 24
  104 5.15 52
  105 1.37 14
  121 2.68 27
  149 99.99 999
  150 8.87 89
  167 3.67 37
  205 1.59 16
  223 2.25 23
//