ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001747
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BENZYL BUTYLESTER; EI-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$NAME: 1,2-BENZENEDICARBOXYLIC ACID BENZYL BUTYLESTER
CH$NAME: BUTYLBENZYL 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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052e-4920000000-89027a8d7d37be6301e0
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  4 8.83 88
  29 5.17 52
  41 6.15 62
  55 2.56 26
  56 7.82 78
  57 7.97 80
  58 0.27 3
  65 3.28 33
  73 2.31 23
  76 0.59 6
  77 1.8 18
  78 0.35 4
  79 2.72 27
  89 0.4 4
  90 1.05 11
  91 75.3 753
  92 6.98 70
  93 1.61 16
  104 13.63 136
  105 14.44 144
  106 2.69 27
  107 8.44 84
  108 2.18 22
  109 0.11 1
  118 0.18 2
  121 2.35 24
  122 11.57 116
  123 19.31 193
  124 1.35 14
  131 0.34 3
  132 22.01 220
  133 3.61 36
  134 0.39 4
  135 9.47 95
  136 2.73 27
  137 0.24 2
  148 0.3 3
  149 99.99 999
  150 16.14 161
  151 1.81 18
  152 0.22 2
  154 0.63 6
  164 0.25 3
  165 0.93 9
  166 0.45 5
  167 0.28 3
  177 1.17 12
  178 7.34 73
  179 0.71 7
  181 0.13 1
  193 0.25 3
  194 0.97 10
  195 0.16 2
  205 6.48 65
  206 37.33 373
  207 4.88 49
  208 0.5 5
  211 0.54 5
  238 4.3 43
  239 0.99 10
  312 1.31 13
  313 0.73 7
//