ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007738
RECORD_TITLE: 5-METHYL-2-PROPIONYLFURAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 5-METHYL-2-PROPIONYLFURAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O₂
CH$EXACT_MASS: 138.06808
CH$SMILES: CCC(=O)c(c1)oc(C)c1
CH$IUPAC: InChI=1S/C8H10O2/c1-3-7(9)8-5-4-6(2)10-8/h4-5H,3H2,1-2H3
CH$LINK: INCHIKEY BXLPZYAVKVFXEO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90147458

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-3900000000-667221fdca29db1ac174
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 2.48 25
  29 6.31 63
  39 1 10
  41 1 10
  43 5.62 56
  53 27.52 275
  54 1.98 20
  57 2.06 21
  72 1.73 17
  81 2.28 23
  95 1.34 13
  108 1.08 11
  109 99.99 999
  110 10.83 108
  111 1.13 11
  137 1.02 10
  138 34.26 343
  139 2.83 28
//