ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007008
RECORD_TITLE: ALLYL NONANOATE; 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$NAME: ALLYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3
CH$LINK: INCHIKEY MFLWLDDOGSNSKO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3024447

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$SPLASH: splash10-052f-9200000000-7f15547ccc42a9cd0d8a
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  15 1.09 11
  26 1.43 14
  27 18.84 188
  29 27.44 274
  31 1.19 12
  39 25.08 251
  41 99.99 999
  42 13.12 131
  43 54.26 543
  44 1.32 13
  45 1.69 17
  53 2.63 26
  54 11.34 113
  55 48.04 480
  56 15.86 159
  57 58.96 590
  58 11.48 115
  59 2.25 23
  60 1.25 13
  67 6.87 69
  68 2.09 21
  69 20.86 209
  70 2.55 26
  71 38.56 386
  72 2.27 23
  73 3.04 30
  79 1.03 10
  81 8.77 88
  82 4.59 46
  83 6.77 68
  84 3.87 39
  85 2.7 27
  93 1.12 11
  95 3.43 34
  96 1.28 13
  97 12.42 124
  98 2.23 22
  99 2.75 28
  100 37.48 375
  101 5.02 50
  111 1.73 17
  113 16.55 166
  114 1.15 12
  121 1.88 19
  123 2.06 21
  127 1.32 13
  139 3.43 34
  141 43.25 433
  142 4.24 42
  155 2.74 27
  169 2.45 25
//