ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006129
RECORD_TITLE: DIISOBUTYL PHTHALATE; CI-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$NAME: DIISOBUTYL PHTHALATE
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0002-0950000000-6650563a272a276c2986
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  76 1.9 19
  77 1.09 11
  104 4.5 45
  105 1.38 14
  149 99.99 999
  150 9.53 95
  151 1.18 12
  167 4.05 41
  189 4.9 49
  205 33.66 337
  206 5.07 51
  223 15.07 151
  224 1.91 19
  279 19.52 195
  280 3.63 36
//