ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007200
RECORD_TITLE: ISOBUTYL DECANOATE; 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$NAME: ISOBUTYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
CH$LINK: INCHIKEY AXTPGRJJIGEOOY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9067566

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$SPLASH: splash10-0a4i-9200000000-e8404a98518ed8ad4134
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  27 11.28 113
  29 26.13 261
  31 1.4 14
  39 8.34 83
  41 47.91 479
  42 10.06 101
  43 39.75 398
  44 1 10
  53 1.63 16
  54 1.65 17
  55 21.07 211
  56 99.99 999
  57 82.29 823
  58 3.07 31
  60 22.44 224
  61 6.17 62
  67 2.33 23
  68 2.23 22
  69 9.84 98
  70 2.64 26
  71 18.25 183
  73 15.09 151
  74 1.65 17
  81 2.7 27
  83 4.93 49
  84 3.13 31
  85 8.43 84
  86 1.02 10
  87 4.55 46
  95 2.67 27
  97 2.24 22
  98 2.59 26
  101 1.77 18
  110 1.07 11
  111 1.17 12
  112 1.36 14
  115 2.01 20
  116 5.67 57
  117 1.11 11
  129 9.11 91
  143 1.27 13
  155 49.68 497
  156 5.02 50
  172 9.03 90
  173 28.22 282
  174 2.57 26
//