MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008847

METHYL BUTYRATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008847
RECORD_TITLE: METHYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL BUTYRATE
CH$NAME: BUTANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₂
CH$EXACT_MASS: 102.06808
CH$SMILES: CCCC(=O)OC
CH$IUPAC: InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY UUIQMZJEGPQKFD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047083

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-00dl-9000000000-ba948fad382703d250d8
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 16.68 167
  26 2.4 24
  27 22.58 226
  28 3.59 36
  29 7.61 76
  31 3.51 35
  33 1.25 13
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  42 14.32 143
  43 99.99 999
  44 5 50
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  55 8.76 88
  57 1.05 11
  59 24.29 243
  69 1.65 17
  70 1.05 11
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  72 3 30
  74 81.87 819
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//