ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008054
RECORD_TITLE: FURFURYL ACETATE; 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$NAME: FURFURYL ACETATE
CH$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$LINK: INCHIKEY CKOYRRWBOKMNRG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7025346

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f8d-9100000000-92f20da69e1b9395abe5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 6.25 63
  39 2.27 23
  41 5.49 55
  42 3.6 36
  43 42.05 421
  44 1.7 17
  51 1.52 15
  52 43.18 432
  53 27.08 271
  54 1.52 15
  55 1.89 19
  61 2.08 21
  69 5.11 51
  70 4.17 42
  79 1.33 13
  80 24.05 241
  81 99.99 999
  82 6.06 61
  95 1.14 11
  97 12.12 121
  98 76.14 761
  99 4.55 46
  104 2.84 28
  140 54.92 549
  141 4.73 47
//