ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007012
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-13(14)15-11-12(2)3/h12H,4-11H2,1-3H3
CH$LINK: INCHIKEY NVVLMTNIHQHZPR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2067583

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$SPLASH: splash10-0a4l-9200000000-12fbf3c76127b2e85450
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  27 13.44 134
  29 28.11 281
  31 1.54 15
  39 9.81 98
  41 50.57 506
  42 10.22 102
  43 37.56 376
  45 1.09 11
  53 1.75 18
  54 1.76 18
  55 21.52 215
  56 99.99 999
  57 94.31 943
  58 3.68 37
  59 1.05 11
  60 22.55 226
  61 5.6 56
  67 2.31 23
  68 1.8 18
  69 7.37 74
  70 2.25 23
  71 19.75 198
  72 1.15 12
  73 14.35 144
  74 1.51 15
  81 2.93 29
  83 2.84 28
  84 2.68 27
  87 4.21 42
  89 1.01 10
  96 1.23 12
  97 2.54 25
  98 2.87 29
  101 1.96 20
  115 5.92 59
  116 5.34 53
  123 1.07 11
  129 5.66 57
  141 60.96 610
  142 6.02 60
  158 8.09 81
  159 29.44 294
  160 2.46 25
//