ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007013
RECORD_TITLE: PENTYL 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$NAME: PENTYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-7-8-9-10-12-14(15)16-13-11-6-4-2/h3-13H2,1-2H3
CH$LINK: INCHIKEY DZOQJRHASSOUOU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4069478

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$SPLASH: splash10-0596-9200000000-3c2051d8b43616956b01
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  27 15.14 151
  29 26.09 261
  31 2.1 21
  39 8.27 83
  41 44.19 442
  42 26 260
  43 67.09 671
  44 2.08 21
  45 1.81 18
  53 2.23 22
  54 1.78 18
  55 36.27 363
  56 5.71 57
  57 27.83 278
  58 1.48 15
  59 1.2 12
  60 18.63 186
  61 15.09 151
  67 2.64 26
  68 2.29 23
  69 12.78 128
  70 99.99 999
  71 31.58 316
  72 1.38 14
  73 18.19 182
  74 1.64 16
  81 2.78 28
  83 3.31 33
  84 2.66 27
  85 1.18 12
  87 4.27 43
  89 2.82 28
  96 1.35 14
  97 3.26 33
  98 2.37 24
  101 2.12 21
  102 1.99 20
  103 1.97 20
  112 1.18 12
  115 10.02 100
  129 4.99 50
  130 4.44 44
  139 1.09 11
  141 34.86 349
  142 2.98 30
  143 1.78 18
  158 4.57 46
  159 61.22 612
  160 5.61 56
//