ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008359
RECORD_TITLE: FURFURYL HEXANOATE; 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$NAME: FURFURYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O₃
CH$EXACT_MASS: 196.10994
CH$SMILES: CCCCCC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C11H16O3/c1-2-3-4-7-11(12)14-9-10-6-5-8-13-10/h5-6,8H,2-4,7,9H2,1H3
CH$LINK: INCHIKEY IBIDUABZZSJJNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80339603

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$SPLASH: splash10-001i-9000000000-21a62d33c27139aa3108
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  26 1.07 11
  27 11.56 116
  29 6.22 62
  38 1.37 14
  39 8.11 81
  41 8.78 88
  42 3.08 31
  43 14.4 144
  50 1.3 13
  51 2.62 26
  52 12 120
  53 15.18 152
  54 1.04 10
  55 2.94 29
  69 2.72 27
  70 1.15 12
  71 6.16 62
  80 8.77 88
  81 99.99 999
  82 11.1 111
  95 2.25 23
  96 1.31 13
  97 4.2 42
  98 23.48 235
  99 8.15 82
  196 9.5 95
//