ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001702
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID BIS(2-ETHYLHEXYL) ESTER; CI-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$NAME: 1,2-BENZENEDICARBOXYLIC ACID BIS(2-ETHYLHEXYL) ESTER
CH$NAME: DI(2-ETHYLHEXYL) PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₈O₄
CH$EXACT_MASS: 390.27701
CH$SMILES: CCCCC(CC)COC(=O)c(c1)c(ccc1)C(=O)OCC(CC)CCCC
CH$IUPAC: InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
CH$LINK: INCHIKEY BJQHLKABXJIVAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020607

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-01ow-0912000000-bfc2f5c113be09d025a4
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  69 0.51 5
  70 3.56 36
  71 11 110
  83 1.72 17
  85 0.53 5
  112 2.34 23
  113 58.35 584
  114 5.33 53
  149 99.99 999
  150 8.67 87
  151 1.5 15
  167 25.44 254
  168 1.53 15
  189 2.67 27
  191 0.63 6
  207 1.12 11
  261 6.49 65
  279 23.35 234
  280 4.03 40
  391 43.96 440
  392 11.56 116
  393 1.58 16
//