ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007015
RECORD_TITLE: HEXYL 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$NAME: HEXYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₂
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY GPHBCFMWKGZPRP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30215862

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$SPLASH: splash10-0a4l-9200000000-060881b784558ff6aba0
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  27 15.34 153
  29 24.48 245
  31 1.06 11
  39 7.39 74
  41 51.55 516
  42 23.43 234
  43 99.99 999
  44 2.01 20
  45 1.6 16
  53 2.2 22
  54 3.23 32
  55 42.73 427
  56 53 530
  57 42.66 427
  58 1.87 19
  59 1.21 12
  60 16.66 167
  61 34.55 346
  67 3.78 38
  68 2.96 30
  69 24.6 246
  70 4.19 42
  71 17.89 179
  72 1.14 11
  73 19.55 196
  74 1.95 20
  81 3.37 34
  82 1.35 14
  83 5.44 54
  84 86.9 869
  85 16.32 163
  87 4.57 46
  89 2.7 27
  96 1.68 17
  97 3.51 35
  98 3.78 38
  99 1.22 12
  101 2.45 25
  103 1.71 17
  112 1.88 19
  113 1.32 13
  115 5.85 59
  129 6.34 63
  131 1.97 20
  139 1.09 11
  141 36.21 362
  142 3.01 30
  144 1.7 17
  145 1.86 19
  157 1.63 16
  158 5.86 59
  159 67.47 675
  160 5.68 57
  242 1 10
//