ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003315
RECORD_TITLE: BUTYL BENZYL 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$NAME: BUTYL BENZYL PHTHALATE
CH$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$LINK: COMPTOX DTXSID3020205
CH$LINK: INCHIKEY IRIAEXORFWYRCZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2347

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$SPLASH: splash10-0005-6910000000-07dd9ee73d2c5162f639
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  43 1.8 18
  50 3.3 33
  51 4.3 43
  52 1.1 11
  54 2.3 23
  55 4.3 43
  56 4.1 41
  62 0.11 1
  65 11 110
  73 1.2 12
  76 5.7 57
  77 0.77 8
  78 1.5 15
  79 2.7 27
  89 2 20
  90 0.18 2
  91 60.1 601
  92 5 50
  93 2.3 23
  104 0.89 9
  105 12.2 122
  106 2.2 22
  107 4.1 41
  108 0.22 2
  120 1.1 11
  121 2.3 23
  122 9.1 91
  123 1.16 12
  132 11.5 115
  133 1.6 16
  135 5.2 52
  136 0.15 2
  149 99.99 999
  150 10.5 105
  151 1.3 13
  165 0.11 1
  177 1.2 12
  178 5.5 55
  205 5.8 58
  206 3.53 35
  207 4.7 47
  238 4.5 45
  239 1.8 18
  312 1.32 13
  313 3.7 37
//