MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005926

ETHYL BUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005926
RECORD_TITLE: ETHYL BUTYRATE; EI-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$NAME: ETHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCC(=O)OCC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY OBNCKNCVKJNDBV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6040111

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AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00du-9000000000-c6cfb5c94d0be8f6153a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 3.57 36
  28 2.08 21
  29 34.23 342
  41 8.63 86
  42 6.55 66
  43 62.8 628
  44 2.38 24
  45 13.69 137
  55 1.49 15
  60 19.94 199
  61 10.42 104
  70 9.23 92
  71 99.99 999
  72 4.46 45
  73 16.67 167
  88 62.8 628
  89 16.37 164
  90 1.19 12
  101 8.63 86
  116 6.85 69
//