ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006216
RECORD_TITLE: ISOBUTYL DECANOATE; CI-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$NAME: ISOBUTYL DECANOATE
CH$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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-004i-0590000000-eef3d22fa45b4cd9dd49
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  84 1.06 11
  85 1.52 15
  116 1.97 20
  129 1.61 16
  153 2.45 25
  155 15.68 157
  156 1.69 17
  171 8.4 84
  172 3.96 40
  173 42.36 424
  174 4.86 49
  213 3.48 35
  227 4 40
  228 2.24 22
  229 99.99 999
  230 16.56 166
  231 1.72 17
//