ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001851
RECORD_TITLE: BUTANOIC ACID; 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

CH$NAME: BUTANOIC ACID
CH$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

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03dl-9000000000-6dc57ea0c6b21d3f8aa1
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 1.77 18
  18 2.48 25
  26 2.36 24
  27 23.48 235
  28 9.47 95
  29 11.98 120
  31 1 10
  38 1.77 18
  39 10.97 110
  40 1.53 15
  41 22.36 224
  42 18.7 187
  43 17.11 171
  44 1.12 11
  45 13.1 131
  55 8.61 86
  60 99.99 999
  61 2.3 23
  69 1.18 12
  70 1.89 19
  71 2.89 29
  73 28.5 285
  87 1.18 12
  88 1.53 15
//