ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003307
RECORD_TITLE: DI-ISOBUTYL 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$NAME: DI-ISOBUTYL PHTHALATE
CH$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$INSTRUMENT: JEOL JMS-01-SG-2
AC$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$SPLASH: splash10-0002-4910000000-f91f01037e6da27fb89b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  43 15 150
  50 4 40
  51 1.7 17
  54 2 20
  55 6.9 69
  56 26.1 261
  57 1.7 17
  65 0.5 5
  75 1.3 13
  76 8.5 85
  77 1.9 19
  93 0.2 2
  104 9.7 97
  105 2.4 24
  121 2.9 29
  122 0.13 1
  132 2 20
  149 99.99 999
  150 10.9 109
  151 0.13 1
  167 4.1 41
  205 3.8 38
  223 17.2 172
  224 0.19 2
  278 2 20
//