MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008050

BUTYRIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008050
RECORD_TITLE: BUTYRIC ACID METHYL ESTER; 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$NAME: BUTYRIC ACID METHYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00di-9000000000-8a7acd9e42c22517c60d
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 5.92 59
  27 7.5 75
  28 1.38 14
  29 3.65 37
  31 1.97 20
  33 1.38 14
  41 15.89 159
  42 6.02 60
  43 68.51 685
  44 2.86 29
  45 1.78 18
  55 6.71 67
  59 18.46 185
  60 1 10
  69 1.58 16
  70 1.58 16
  71 73.15 732
  72 3.36 34
  74 99.99 999
  75 3.95 40
  87 26.46 265
  88 1.68 17
  101 1.38 14
  102 3.36 34
//