ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007745
RECORD_TITLE: FURFURYL ACETATE; 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$NAME: FURFURYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O₃
CH$EXACT_MASS: 140.04734
CH$SMILES: CC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
CH$LINK: CAS 623-17-6
CH$LINK: INCHIKEY CKOYRRWBOKMNRG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025346

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$SPLASH: splash10-0ued-9000000000-5d41a76d32548e789aa7
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 12.98 130
  29 1.97 20
  39 4.78 48
  41 12.02 120
  42 9.21 92
  43 67.98 680
  44 1.96 20
  50 1 10
  51 1.98 20
  52 77.09 771
  53 51.63 516
  54 1.98 20
  55 1.96 20
  68 1.01 10
  69 9.98 100
  70 5.1 51
  79 1 10
  80 18.02 180
  81 99.99 999
  82 7.97 80
  97 11.98 120
  98 66.34 663
  99 3.72 37
  140 46.72 467
  141 2.33 23
//