ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004646
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID ISOPROPYL 2-ETHYLHEXYL ESTER; 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID ISOPROPYL 2-ETHYLHEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₈O₄
CH$EXACT_MASS: 320.19876
CH$SMILES: CCCCC(CC)COC(=O)c(c1)c(ccc1)C(=O)OC(C)C
CH$IUPAC: InChI=1S/C19H28O4/c1-5-7-10-15(6-2)13-22-18(20)16-11-8-9-12-17(16)19(21)23-14(3)4/h8-9,11-12,14-15H,5-7,10,13H2,1-4H3
CH$LINK: INCHIKEY NDQBOQJEHVQCJE-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-4920000000-67379cdc663420ef0ba3
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  27 1.74 17
  29 0.91 9
  32 4.99 50
  39 1.56 16
  41 7.81 78
  42 1.7 17
  43 6.56 66
  44 1.12 11
  50 0.65 7
  55 5.2 52
  56 3.19 32
  57 6.37 64
  59 0.64 6
  65 2.25 23
  69 2.44 24
  70 11.06 111
  71 4.07 41
  76 2.41 24
  77 1.09 11
  82 0.88 9
  83 3.87 39
  84 2.36 24
  93 2.35 24
  104 3.08 31
  105 1.66 17
  112 5.11 51
  113 2.84 28
  121 2.34 23
  122 1.74 17
  132 0.83 8
  149 99.99 999
  150 10.59 106
  151 1.26 13
  167 15.5 155
  168 1.18 12
  191 5.68 57
  192 1.08 11
  209 30.27 303
  210 3.9 39
  211 0.64 6
  261 0.5 5
  320 0.6 6
//