ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006893
RECORD_TITLE: FURFURYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0f8c-9000000000-8acbf2c440658554923f
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  14 2.36 24
  15 11.72 117
  26 3.14 31
  27 21.01 210
  28 1.55 16
  29 9.67 97
  37 2.52 25
  38 6.29 63
  39 19.08 191
  40 1.47 15
  41 11.15 112
  42 11.26 113
  43 63.41 634
  44 1.94 19
  50 7.58 76
  51 12.6 126
  52 49.74 497
  53 41.82 418
  54 1.87 19
  55 1.51 15
  61 1.62 16
  68 1.13 11
  69 5.74 57
  70 2.95 30
  79 1.15 12
  80 16.61 166
  81 99.99 999
  82 5.44 54
  95 5.02 50
  97 10.08 101
  98 51.74 517
  99 2.63 26
  140 31.03 310
  141 2.25 23
//