ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006128
RECORD_TITLE: DIBUTYL 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$NAME: DIBUTYL PHTHALATE
CH$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: 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$SPLASH: splash10-052b-0960000000-7a12a722da333ebed5e0
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  76 1.88 19
  77 1.72 17
  93 1.01 10
  104 2.73 27
  105 1.84 18
  121 1.3 13
  122 1.37 14
  149 99.99 999
  150 8.71 87
  151 1.33 13
  163 1.07 11
  189 3.7 37
  205 52 520
  206 6.48 65
  223 7.11 71
  278 1.22 12
  279 12.39 124
  280 2.19 22
//