MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005213

ISOBUTYL ISOVALERATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005213
RECORD_TITLE: ISOBUTYL ISOVALERATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: ISOBUTYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CC(C)COC(=O)CC(C)C
CH$IUPAC: InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
CH$LINK: INCHIKEY KEBDNKNVCHQIJU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060431

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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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-0a4i-1900000000-cb32bcc11630e225cb11
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  84 1.33 13
  85 1.33 13
  87 15.72 157
  88 1.11 11
  89 1.07 11
  103 1.08 11
  143 1.3 13
  159 99.99 999
  160 10.54 105
  161 1.7 17
//