ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007741
RECORD_TITLE: 2-HEPTANOYLFURAN; 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$NAME: 2-HEPTANOYLFURAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O2
CH$EXACT_MASS: 180.11503
CH$SMILES: CCCCCCC(=O)c(c1)occ1
CH$IUPAC: InChI=1S/C11H16O2/c1-2-3-4-5-7-10(12)11-8-6-9-13-11/h6,8-9H,2-5,7H2,1H3
CH$LINK: INCHIKEY BTNRWSUWLFMXEL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40282686
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$SPLASH: splash10-03dj-6900000000-083f4be963b27c8b0900
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  39 1.12 11
  41 2.97 30
  42 2.03 20
  43 8.82 88
  54 3.96 40
  55 9.74 97
  56 2.79 28
  67 2.8 28
  68 10.92 109
  69 1.92 19
  81 6.88 69
  82 4.84 48
  84 2.85 29
  94 1.03 10
  95 62.81 628
  96 6.57 66
  97 3.97 40
  109 1 10
  110 99.99 999
  111 22.52 225
  112 1.68 17
  123 41.85 419
  124 5.76 58
  137 3.86 39
  138 1.1 11
  151 4.52 45
  152 3.61 36
  180 1.88 19
  181 1.03 10
//
