MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005815

DIISOBUTYL PHTHALATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005815
RECORD_TITLE: DIISOBUTYL 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

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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: COMPTOX DTXSID9022522
CH$LINK: INCHIKEY MGWAVDBGNNKXQV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6782

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-0910000000-3ed563f6a8676b13ac03
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  56 1.84 18
  57 9.43 94
  149 99.99 999
  150 9.72 97
  151 1.03 10
  167 6.19 62
  205 3.54 35
  223 11.15 112
  224 1.41 14
  278 0.31 3
//