ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006218
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₂
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY XDOGFYDZGUDBQY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7062320

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$SPLASH: splash10-0006-0290000000-318165704bcbc44f298c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  86 1.51 15
  153 1.49 15
  155 9.4 94
  156 1.09 11
  171 3.77 38
  172 1.43 14
  173 12.09 121
  174 1.25 13
  213 1.66 17
  241 5.08 51
  242 2.23 22
  243 99.99 999
  244 16.52 165
  245 1.81 18
//