MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005981

METHYL ISOBUTYRATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005981
RECORD_TITLE: METHYL ISOBUTYRATE; CI-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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-0fe0-9200000000-a852902f244e902cb44a
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  69 3.64 36
  71 3.18 32
  72 73.68 737
  73 8.24 82
  74 15.26 153
  75 3.51 35
  76 2.85 29
  87 99.99 999
  88 4.36 44
  101 4.55 46
  102 20.1 201
  103 38.65 387
  104 2.1 21
//