ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006130
RECORD_TITLE: BENZYL BUTYL 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$NAME: BENZYL BUTYL PHTHALATE
CH$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$LINK: INCHIKEY IRIAEXORFWYRCZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020205

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$SPLASH: splash10-052g-7961000000-aa90e1eaafd27f761625
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  76 2.85 29
  77 3.01 30
  78 1.41 14
  79 2.18 22
  89 1.75 18
  90 1.02 10
  91 99.99 999
  92 8.06 81
  93 1.59 16
  104 7 70
  105 5.73 57
  106 1.1 11
  107 3.62 36
  108 1.11 11
  121 1.79 18
  122 4.11 41
  123 7.4 74
  129 1.09 11
  131 6.27 63
  132 6.31 63
  133 3.76 38
  135 3.74 37
  149 78.61 786
  150 8.16 82
  165 2.55 26
  178 2.77 28
  189 1.79 18
  205 51.86 519
  206 35.12 351
  207 3.65 37
  238 6.5 65
  240 1.27 13
  312 2.54 25
  313 15.68 157
  314 2.61 26
//