ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001769
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BENZYL METHYLESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID BENZYL METHYLESTER
CH$NAME: METHYLBENZYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄O₄
CH$EXACT_MASS: 270.08921
CH$SMILES: COC(=O)c(c2)c(ccc2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H14O4/c1-19-15(17)13-9-5-6-10-14(13)16(18)20-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
CH$LINK: INCHIKEY AKKMBTJVARDPMB-UHFFFAOYSA-N

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$SPLASH: splash10-03dl-3900000000-316847ba4c3e6cad170d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  65 2.56 26
  77 6.08 61
  79 2.34 23
  90 1.42 14
  91 77.22 772
  92 30.68 307
  93 1.96 20
  104 12.63 126
  105 21.78 218
  106 2.46 25
  107 3.84 38
  118 1.7 17
  132 13.88 139
  133 3.6 36
  135 18.87 189
  136 21.88 219
  137 1.57 16
  149 29.23 292
  150 2.48 25
  163 75.15 752
  164 99.99 999
  165 12.02 120
  166 1.16 12
  194 0.71 7
  238 2.48 25
  270 1.05 11
//