MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005912

ETHYL ISOBUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005912
RECORD_TITLE: ETHYL ISOBUTYRATE; 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$NAME: ETHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
CH$LINK: INCHIKEY WDAXFOBOLVPGLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047728

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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$SPLASH: splash10-0006-9000000000-cda38c45f8e8f3e49d4f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 3.88 39
  29 39.23 392
  30 1.14 11
  41 10.26 103
  42 13.27 133
  43 99.99 999
  44 3.65 37
  45 9.01 90
  57 1.7 17
  70 1.71 17
  71 54.39 544
  72 2.51 25
  73 8.89 89
  78 1.14 11
  88 13.68 137
  89 8.16 82
  101 2.85 29
  116 21.32 213
  117 1.71 17
//