ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006214
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆O₂
CH$EXACT_MASS: 214.19328
CH$SMILES: CCCCCCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-13(14)15-12(2)3/h12H,4-11H2,1-3H3
CH$LINK: INCHIKEY PKPPDYGHKDIKBH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50177675

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$SPLASH: splash10-01b9-0970000000-bbfa4725ba3e0b371085
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  84 2.17 22
  85 1.89 19
  95 1.14 11
  97 1.13 11
  102 11.96 120
  103 1.93 19
  112 1.2 12
  115 1.12 11
  129 2.85 29
  153 3.88 39
  155 15.58 156
  156 1.85 19
  171 15.44 154
  172 9.26 93
  173 86.07 861
  174 9.47 95
  213 9.23 92
  214 4.95 50
  215 99.99 999
  216 19.59 196
  217 1.92 19
//