ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006138
RECORD_TITLE: ISOBUTYL DECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: ISOBUTYL DECANOATE
CH$NAME: ISOBUTYL CAPRATE
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9200000000-04fe04dea265d31d9cd3
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  29 2.85 29
  41 6.21 62
  43 12.84 128
  55 3.29 33
  56 99.99 999
  57 65.11 651
  58 2.66 27
  60 18.84 188
  61 6.14 61
  67 1 10
  69 4.52 45
  70 1.22 12
  71 12.44 124
  73 11.23 112
  74 1.3 13
  81 1.97 20
  83 2.89 29
  87 4.31 43
  95 2.14 21
  97 1.61 16
  98 1.85 19
  101 1.66 17
  110 1.12 11
  112 1.34 13
  115 1.87 19
  116 4.98 50
  117 1.25 13
  129 6.76 68
  143 1.01 10
  155 29.72 297
  156 3.46 35
  172 6.45 65
  173 18.51 185
  174 2.19 22
  228 0.23 2
//