ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003385
RECORD_TITLE: DIPROPYL ADIPATE; 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$NAME: DIPROPYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₄
CH$EXACT_MASS: 230.15181
CH$SMILES: CCCOC(=O)CCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY NKOUWLLFHNBUDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044511

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$SPLASH: splash10-00dl-6910000000-e63725c42348febc53b3
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  43 67.6 676
  53 2.2 22
  54 21.5 215
  55 5.2 52
  56 3.4 34
  58 6.9 69
  59 4.7 47
  60 0.76 8
  73 4.9 49
  83 9.6 96
  84 4.4 44
  87 1.2 12
  100 8.8 88
  101 15 150
  102 2 20
  111 2.49 25
  112 3.6 36
  129 36.9 369
  130 2.5 25
  142 1.88 19
  143 2.5 25
  170 3.1 31
  171 99.99 999
  172 0.88 9
  189 2.2 22
  231 30.1 301
  232 2.5 25
//