ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007748
RECORD_TITLE: FURFURYL BUTYRATE; 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$NAME: FURFURYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O₃
CH$EXACT_MASS: 168.07864
CH$SMILES: CCCC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3
CH$LINK: INCHIKEY IXISGRHWGVGCAK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60211357

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$SPLASH: splash10-0f89-9000000000-5537e430672c9abe4025
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  26 1.03 10
  27 10.01 100
  28 1.03 10
  29 1.02 10
  39 3.12 31
  41 9.98 100
  42 4.84 48
  43 47.89 479
  44 1.97 20
  50 1.03 10
  51 1.03 10
  52 44.73 447
  53 29.99 300
  54 1.01 10
  55 1.98 20
  57 1.98 20
  69 2.98 30
  70 4.79 48
  71 29.98 300
  72 1 10
  80 27.88 279
  81 99.99 999
  82 14.57 146
  83 1.02 10
  97 8.96 90
  98 43.98 440
  99 2.87 29
  168 23.58 236
  169 1.68 17
//