ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008618
RECORD_TITLE: ALLYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ALLYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3
CH$LINK: INCHIKEY RCSBILYQLVXLJG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1047653

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$SPLASH: splash10-0006-9000000000-149d79e35c1f7b309b58
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 1.49 15
  26 2.36 24
  27 25.62 256
  29 26.55 266
  31 1.69 17
  38 1.91 19
  39 36.55 366
  40 4.69 47
  41 96.82 968
  42 17.79 178
  43 99.99 999
  44 3.58 36
  45 2.22 22
  53 2.03 20
  54 7.5 75
  55 30.68 307
  56 9.06 91
  57 11.83 118
  58 6.78 68
  60 1.42 14
  67 1.2 12
  69 26.97 270
  70 4.71 47
  71 57.32 573
  72 3.74 37
  73 7.97 80
  81 1.56 16
  82 2.42 24
  85 1.48 15
  97 5.99 60
  98 1.04 10
  99 94.66 947
  100 29.05 291
  101 1.66 17
  113 8.91 89
  127 2.09 21
//