ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005814
RECORD_TITLE: DIBUTYL 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

CH$NAME: DIBUTYL PHTHALATE
CH$NAME: PHTHALIC ACID DI-BUTYL ESTER
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-0910000000-97464fdc3b8040ec3d36
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  56 1.04 10
  149 99.99 999
  150 9.74 97
  151 1.09 11
  160 1.1 11
  205 6.82 68
  206 1.08 11
  223 8.51 85
  224 1.07 11
  278 0.94 9
//