MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005916

METHYL ISOBUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005916
RECORD_TITLE: METHYL 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$NAME: METHYL ISOBUTYRATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-3e969deccf54a3de9a05
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  27 5.2 52
  41 14.11 141
  42 11.39 114
  43 99.99 999
  44 3.22 32
  55 3.21 32
  59 19.55 196
  61 4.95 50
  70 1.24 12
  71 49.13 491
  72 2.23 22
  74 5.69 57
  87 23.51 235
  88 1.24 12
  101 0.99 10
  102 20.3 203
  103 1.49 15
//