ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011302
RECORD_TITLE: ISOBUTYL VINYL 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

CH$NAME: ISOBUTYL VINYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O
CH$EXACT_MASS: 100.08882
CH$SMILES: C=COCC(C)C
CH$IUPAC: InChI=1S/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3
CH$LINK: CAS 109-53-5
CH$LINK: INCHIKEY OZCMOJQQLBXBKI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8029608

AC$INSTRUMENT: HITACHI M-2500
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 12 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9100000000-1bd9228138fedd2fcc2e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  29 14.54 145
  41 36.95 370
  42 1.81 18
  43 2.74 27
  44 12.55 126
  45 4.21 42
  55 3.05 31
  56 71.8 718
  57 99.99 999
  58 4.86 49
  85 1.59 16
  100 35.05 351
  101 3.61 36
//