ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005816
RECORD_TITLE: BENZYL BUTYL 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$NAME: BENZYL BUTYL PHTHALATE
CH$NAME: PHTHALIC ACID BENZYL BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₀O₄
CH$EXACT_MASS: 312.13616
CH$SMILES: CCCCOC(=O)c(c2)c(ccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
CH$LINK: COMPTOX DTXSID3020205
CH$LINK: INCHIKEY IRIAEXORFWYRCZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2347

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$SPLASH: splash10-0002-0930000000-0017c0d829036e58cd6a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  56 1.42 14
  91 15.54 155
  92 1.63 16
  104 4.43 44
  105 3.98 40
  106 1 10
  107 3.44 34
  122 4.85 49
  123 16.05 161
  124 1.1 11
  132 15.77 158
  133 2.08 21
  135 7.83 78
  136 1.92 19
  149 99.99 999
  150 11.73 117
  151 1.09 11
  177 1.14 11
  178 6.52 65
  205 6.6 66
  206 42.39 424
  207 5.84 58
  238 5.06 51
  239 1.35 14
  312 1.77 18
  313 0.52 5
//