ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006215
RECORD_TITLE: BUTYL 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$NAME: BUTYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₈O₂
CH$EXACT_MASS: 228.20893
CH$SMILES: CCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h3-13H2,1-2H3
CH$LINK: INCHIKEY ZRNCNTSXSYXHOW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4067565

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$SPLASH: splash10-004i-0490000000-9f16d257f956b6aee9ee
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  84 1.57 16
  85 1.74 17
  87 1.28 13
  95 1.09 11
  101 1.73 17
  116 2.77 28
  129 2.49 25
  153 3.12 31
  155 13.04 130
  156 1.41 14
  171 4.72 47
  172 1.72 17
  173 32.25 323
  174 3.47 35
  214 1.42 14
  227 5.56 56
  228 2.79 28
  229 99.99 999
  230 15.94 159
  231 1.6 16
//