ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001700
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIBUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIBUTYL ESTER
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0a6s-0490000000-bb10c8ff49d65e9fbcfd
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  65 0.29 3
  67 0.3 3
  73 0.11 1
  79 1.7 17
  91 0.33 3
  93 0.41 4
  104 0.29 3
  105 0.83 8
  108 6.99 70
  109 0.23 2
  121 0.26 3
  123 0.25 3
  133 0.52 5
  149 75.77 758
  150 9.86 99
  151 2.73 27
  163 0.74 7
  177 0.15 2
  187 0.18 2
  189 2.55 26
  205 99.99 999
  206 12.19 122
  207 2.11 21
  223 3 30
  224 0.42 4
  277 0.13 1
  279 60.77 608
  280 10.72 107
  281 1.41 14
//