ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007733
RECORD_TITLE: 2-HEPTYLFURAN; 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$NAME: 2-HEPTYLFURAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₈O
CH$EXACT_MASS: 166.13577
CH$SMILES: CCCCCCCc(c1)occ1
CH$IUPAC: InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
CH$LINK: CAS 3777-71-7
CH$LINK: INCHIKEY BHTUFJXTYNLISA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2063187

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$SPLASH: splash10-00ls-9400000000-9047a4723051a73efe32
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  29 2.05 21
  39 2.83 28
  41 7.76 78
  43 41.14 411
  53 13.95 140
  54 9.92 99
  55 12.34 123
  56 2.74 27
  57 8.72 87
  66 8.74 87
  67 37.91 379
  68 35.97 360
  69 13.98 140
  80 17.96 180
  81 99.99 999
  82 80.52 805
  83 22.67 227
  84 5.79 58
  85 1.02 10
  90 1.04 10
  91 3.96 40
  92 1 10
  93 10.65 107
  94 11.93 119
  95 66.53 665
  96 26.82 268
  97 6.75 68
  98 2.84 28
  105 3.88 39
  106 2.93 29
  107 8.62 86
  108 4.62 46
  109 41.89 419
  110 26.12 261
  111 2.98 30
  119 9.96 100
  120 2.1 21
  122 21.84 218
  123 40.06 401
  124 18.61 186
  125 2.08 21
  137 18.68 187
  138 2.69 27
  151 2.11 21
  165 2.06 21
  166 51.86 519
  167 1.07 11
//