ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003306
RECORD_TITLE: DIBUTYL 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$NAME: DIBUTYL PHTHALATE
CH$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$LINK: COMPTOX DTXSID2021781
CH$LINK: INCHIKEY DOIRQSBPFJWKBE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3026

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$SPLASH: splash10-0002-1910000000-964b3411de1f914de4da
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  50 1.6 16
  54 1.8 18
  55 6.8 68
  56 7.3 73
  65 3.2 32
  76 3.1 31
  77 1.4 14
  93 0.29 3
  104 4.2 42
  105 2.6 26
  121 2.7 27
  122 0.18 2
  123 1.4 14
  149 99.99 999
  150 11 110
  151 0.13 1
  177 1.4 14
  205 11.6 116
  206 1.6 16
  223 1.62 16
  224 2 20
  278 5.5 55
  279 1.5 15
//