MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006964

ETHYL ISOBUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006964
RECORD_TITLE: ETHYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-002f-9000000000-a2cde32043924be5f69d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 3.08 31
  18 1.29 13
  26 3.31 33
  27 30.63 306
  28 4.36 44
  29 46.09 461
  30 1.48 15
  31 1.15 12
  38 1.11 11
  39 10.39 104
  40 2.11 21
  41 26.76 268
  42 13.26 133
  43 99.99 999
  44 3.24 32
  45 9.73 97
  55 1.82 18
  57 1.39 14
  70 1.02 10
  71 39.81 398
  72 1.59 16
  73 7.73 77
  88 7.3 73
  89 5.19 52
  101 1.47 15
  116 9.79 98
//