ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003351
RECORD_TITLE: DIPROPYLENE 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$NAME: DIPROPYLENE GLYCOL DIBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₂O₅
CH$EXACT_MASS: 342.14672
CH$SMILES: CC(COC(=O)c(c2)cccc2)OC(C)COC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C20H22O5/c1-15(13-23-19(21)17-9-5-3-6-10-17)25-16(2)14-24-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
CH$LINK: INCHIKEY CGLQOIMEUPORRI-UHFFFAOYSA-N

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$SPLASH: splash10-0bt9-2900000000-3eed2c6b9167329c7716
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  45 3.8 38
  51 7.2 72
  57 5.5 55
  58 12.3 123
  72 4.1 41
  77 32.1 321
  78 2.6 26
  103 0.35 4
  105 99.99 999
  106 9.3 93
  116 2.3 23
  122 0.54 5
  123 8.1 81
  163 84.5 845
  164 9.5 95
  194 0.53 5
  207 8.1 81
  208 1.3 13
  220 3.1 31
//