ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003392
RECORD_TITLE: DIETHOXYETHYL 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$NAME: DIETHOXYETHYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₆
CH$EXACT_MASS: 290.17294
CH$SMILES: CCOCCOC(=O)CCCCC(=O)OCCOCC
CH$IUPAC: InChI=1S/C14H26O6/c1-3-17-9-11-19-13(15)7-5-6-8-14(16)20-12-10-18-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY NJEMMCIKSMMBDM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5059371

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$SPLASH: splash10-00di-9200000000-b22bcc22f92af1f522d6
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  43 27.4 274
  44 53.5 535
  45 74 740
  46 2.3 23
  54 26.4 264
  55 6.6 66
  56 2.3 23
  58 6.54 65
  68 2 20
  72 99.99 999
  73 89.7 897
  74 0.35 4
  83 11.7 117
  84 12.7 127
  85 3.3 33
  86 0.24 2
  88 2.3 23
  89 4.1 41
  99 12.3 123
  100 0.29 3
  101 3.9 39
  111 32.7 327
  112 5.5 55
  113 0.45 5
  128 6 60
  129 8.2 82
  145 3.7 37
  155 2.32 23
  156 7.4 74
  157 4.3 43
  159 2.8 28
  172 0.29 3
  173 10.2 102
  174 5.1 51
  183 5.4 54
  201 1.91 19
  202 2.7 27
  245 5.5 55
  246 6.6 66
  269 2.8 28
//