ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002529
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$NAME: FURFURYL ACETATE
CH$NAME: 2-FURYLMETHYL 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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f8d-9000000000-c56641f4bee3a25718dd
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  14 2.75 28
  15 12.14 121
  26 3.68 37
  27 22.22 222
  28 4.1 41
  29 8.1 81
  37 2.31 23
  38 5.55 56
  39 17.55 176
  40 1.51 15
  41 9.82 98
  42 6.34 63
  43 66.78 668
  44 1.99 20
  50 5.6 56
  51 10.64 106
  52 47.48 475
  53 38.79 388
  54 1.76 18
  55 1.79 18
  61 1.99 20
  68 1.03 10
  69 5.32 53
  70 3.72 37
  79 1.37 14
  80 19.61 196
  81 99.99 999
  82 6.02 60
  95 3.97 40
  97 13.08 131
  98 69.39 694
  99 3.99 40
  140 39 390
  141 3.24 32
//