ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003350
RECORD_TITLE: DIETHYLENE GLYCOL DIBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYLENE GLYCOL DIBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₈O₅
CH$EXACT_MASS: 314.11542
CH$SMILES: O(CCOC(=O)c(c2)cccc2)CCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2
CH$LINK: INCHIKEY NXQMCAOPTPLPRL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026967

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6s-7900000000-1966e58505abff004ce3
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  45 23 230
  50 5.3 53
  51 15.8 158
  56 3 30
  57 8.2 82
  70 2.2 22
  73 4.7 47
  74 0.2 2
  75 2.1 21
  76 3.3 33
  77 65.5 655
  78 0.53 5
  88 15.6 156
  91 2.5 25
  105 99.99 999
  106 1.16 12
  122 17.1 171
  123 11.9 119
  149 29.9 299
  150 0.51 5
  180 9.6 96
  181 1.2 12
  185 1.6 16
  192 0.12 1
  194 1.1 11
//