MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009177

BUTYRIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009177
RECORD_TITLE: BUTYRIC ACID; 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$NAME: BUTYRIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₂
CH$EXACT_MASS: 88.05243
CH$SMILES: CCCC(O)=O
CH$IUPAC: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
CH$LINK: INCHIKEY FERIUCNNQQJTOY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021515

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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$SPLASH: splash10-03dl-9000000000-032fc35b394786b5896a
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  14 1.08 11
  15 2.62 26
  26 4.02 40
  27 32.6 326
  28 5.92 59
  29 14.17 142
  31 1.73 17
  37 1.75 18
  38 2.96 30
  39 16.99 170
  40 2.21 22
  41 24.41 244
  42 21.65 217
  43 16.5 165
  45 19.5 195
  55 5.81 58
  60 99.99 999
  61 2.03 20
  69 1.37 14
  71 2.23 22
  73 30.27 303
  74 1.23 12
  87 1.21 12
  88 1.97 20
//