ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007192
RECORD_TITLE: BENZYL 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$NAME: BENZYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₄O₂
CH$EXACT_MASS: 248.17763
CH$SMILES: CCCCCCCCC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H24O2/c1-2-3-4-5-6-10-13-16(17)18-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3
CH$LINK: INCHIKEY KVIQEJMWUXBBQJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20215058

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$SPLASH: splash10-0006-9200000000-3d6da2c592e434f8a1e0
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 9.68 97
  29 12.48 125
  39 8.63 86
  41 22.85 229
  42 4.47 45
  43 20.77 208
  51 3.33 33
  52 1.17 12
  53 1.46 15
  55 11.85 119
  56 2.25 23
  57 15.06 151
  63 1.79 18
  65 12.78 128
  67 1.92 19
  69 7.11 71
  71 9.64 96
  77 7.29 73
  78 1.5 15
  79 5.81 58
  81 2.25 23
  83 1.6 16
  89 3 30
  90 7.65 77
  91 99.99 999
  92 19.84 198
  93 1.52 15
  95 1.15 12
  96 1.07 11
  97 4.6 46
  105 1.84 18
  107 3.93 39
  108 40.99 410
  109 2.76 28
  111 1.24 12
  121 1.23 12
  138 1 10
  139 6.56 66
  141 4.84 48
  157 4.11 41
  248 1.64 16
//