MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001705

1,2-BENZENEDICARBOXYLIC ACID DIOCTYL ESTER; CI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001705
RECORD_TITLE: 1,2-BENZENEDICARBOXYLIC ACID DIOCTYL 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$NAME: 1,2-BENZENEDICARBOXYLIC ACID DIOCTYL ESTER
CH$NAME: DIOCTYL PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₈O₄
CH$EXACT_MASS: 390.27701
CH$SMILES: CCCCCCCCOC(=O)c(c1)c(ccc1)C(=O)OCCCCCCCC
CH$IUPAC: InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
CH$LINK: COMPTOX DTXSID1021956
CH$LINK: INCHIKEY MQIUGAXCHLFZKX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8346

---

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$SPLASH: splash10-0005-1944000000-a4c8dbbdb55dc2323227
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  69 5.18 52
  71 3.63 36
  83 1.43 14
  85 2.66 27
  113 3.28 33
  149 99.99 999
  150 8.01 80
  261 40.82 408
  262 6.49 65
  279 4.99 50
  391 45.52 455
  392 12.37 124
//