ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006430
RECORD_TITLE: ALLYL OCTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALLYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₂
CH$EXACT_MASS: 184.14633
CH$SMILES: CCCCCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3
CH$LINK: INCHIKEY PZGMUSDNQDCNAG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9063370

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a6u-9200000000-9c58916f7999e9c1a456
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 1.2 12
  26 1.56 16
  27 19.57 196
  29 26.78 268
  31 1.13 11
  39 26.87 269
  40 1.14 11
  41 94.48 945
  42 13.01 130
  43 42.65 427
  44 1.27 13
  45 1.89 19
  53 2.15 22
  54 9.87 99
  55 46.84 468
  56 13.05 131
  57 99.99 999
  58 11.25 113
  59 2.98 30
  60 1.17 12
  67 5.52 55
  68 1.07 11
  69 6.51 65
  70 1.61 16
  71 2.14 21
  73 1.46 15
  81 4.04 40
  82 5.02 50
  83 15.67 157
  84 3.43 34
  85 2.21 22
  95 1.05 11
  97 9.46 95
  98 2.14 21
  99 2.26 23
  100 31.36 314
  101 3.65 37
  109 4.7 47
  113 12.44 124
  125 4.01 40
  127 50.87 509
  128 4.58 46
  141 2.41 24
  155 1.22 12
//