ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002587
RECORD_TITLE: ISOBUTYRIC ANHYDRIDE; 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

CH$NAME: ISOBUTYRIC ANHYDRIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₃
CH$EXACT_MASS: 158.09429
CH$SMILES: CC(C)C(=O)OC(=O)C(C)C
CH$IUPAC: InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3
CH$LINK: INCHIKEY LSACYLWPPQLVSM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7026609

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001l-9000000000-2c92346ab0274fdd8fcc
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  15 1.43 14
  26 1.4 14
  27 14.23 142
  28 3.26 33
  39 6.87 69
  40 1.4 14
  41 17.67 177
  42 5.03 50
  43 81.66 817
  44 2.8 28
  81 99.99 999
  82 4.64 46
//