MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006963

METHYL ISOBUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006963
RECORD_TITLE: METHYL 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$NAME: METHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₂
CH$EXACT_MASS: 102.06808
CH$SMILES: COC(=O)C(C)C
CH$IUPAC: InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
CH$LINK: INCHIKEY BHIWKHZACMWKOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060275

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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$SPLASH: splash10-0006-9000000000-036e1ab23d11bbe83602
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 15.69 157
  26 2.99 30
  27 25.03 250
  28 3.94 39
  29 5.66 57
  31 2.16 22
  33 1.25 13
  38 1.79 18
  39 16.74 167
  40 2.6 26
  41 36.85 369
  42 15.08 151
  43 99.99 999
  44 3.1 31
  45 2.23 22
  55 6.49 65
  59 26.65 267
  61 4.43 44
  70 1.01 10
  71 35.38 354
  72 1.39 14
  74 2.94 29
  87 19 190
  102 12.14 121
//