ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009043
RECORD_TITLE: HEXYL 2-FUROATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: HEXYL 2-FUROATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O₃
CH$EXACT_MASS: 196.10994
CH$SMILES: CCCCCCOC(=O)c(c1)occ1
CH$IUPAC: InChI=1S/C11H16O3/c1-2-3-4-5-8-14-11(12)10-7-6-9-13-10/h6-7,9H,2-5,8H2,1H3
CH$LINK: INCHIKEY KMLFVAGUWNPADU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70192502

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$SPLASH: splash10-03dj-9500000000-d4f648bf12a127d40665
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 9.93 99
  29 9.02 90
  37 1.16 12
  38 5.24 52
  39 28.46 285
  41 20.19 202
  42 12.55 126
  43 18.73 187
  53 1.91 19
  54 1.37 14
  55 19.81 198
  56 22.9 229
  57 1.99 20
  66 1.3 13
  67 3.63 36
  68 4.35 44
  69 9.37 94
  83 1.78 18
  84 8.84 88
  95 99.99 999
  96 7.27 73
  97 1.17 12
  112 63.97 640
  113 96.6 966
  114 5.93 59
  196 9.98 100
  197 1.21 12
//