ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004293
RECORD_TITLE: 3,6-DIOXAOCTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: 3,6-DIOXAOCTYL ACETATE
CH$NAME: ACETIC ACID 3,6-DIOXAOCTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O4
CH$EXACT_MASS: 176.10486
CH$SMILES: CCOCCOCCOC(C)=O
CH$IUPAC: InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3
CH$LINK: INCHIKEY FPZWZCWUIYYYBU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026905
AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0076-9000000000-504f7aab930fe48988ed
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 4.99 50
  19 1.41 14
  27 5.83 58
  28 11.57 116
  29 15.52 155
  31 41.39 414
  41 6.68 67
  42 4.23 42
  43 99.99 999
  44 17.03 170
  45 55.79 558
  58 2.07 21
  59 47.98 480
  60 3.2 32
  61 5.83 58
  72 42.52 425
  73 20.51 205
  74 3.01 30
  75 1.41 14
  86 2.07 21
  87 60.21 602
  88 3.01 30
  89 3.95 40
  101 2.35 24
  103 3.1 31
  116 1.13 11
  117 1.88 19
//
