ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004280
RECORD_TITLE: ISOBUTYRIC 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$NAME: ISOBUTYRIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈O₂
CH$EXACT_MASS: 88.05243
CH$SMILES: CC(C)C(O)=O
CH$IUPAC: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
CH$LINK: COMPTOX DTXSID4021636
CH$LINK: INCHIKEY KQNPFQTWMSNSAP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6590

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$SPLASH: splash10-0006-9000000000-4c977a2f823cde05363a
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  18 5.14 51
  27 20.58 206
  28 26.19 262
  29 3.65 37
  39 14.97 150
  41 55.19 552
  42 10.48 105
  43 99.99 999
  44 9.44 94
  45 9.54 95
  55 4.21 42
  71 1 10
  73 18.05 181
  88 1.78 18
//