MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006213

ETHYL DECANOATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006213
RECORD_TITLE: ETHYL 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

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CH$NAME: ETHYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₂
CH$EXACT_MASS: 200.17763
CH$SMILES: CCCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
CH$LINK: INCHIKEY RGXWDWUGBIJHDO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0044363

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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

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PK$SPLASH: splash10-0udi-1290000000-37975ad9cde087e040df
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  84 1.13 11
  88 15.61 156
  89 2.45 25
  101 5.76 58
  115 1.13 11
  153 4.03 40
  155 6.9 69
  157 1.91 19
  173 1.31 13
  199 6.77 68
  200 3.54 35
  201 99.99 999
  202 13.26 133
  203 1.37 14
//