ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007752
RECORD_TITLE: FURFURYL HEXANOATE; 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$NAME: FURFURYL HEXANOATE
CH$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$LINK: COMPTOX DTXSID80339603
CH$LINK: INCHIKEY IBIDUABZZSJJNF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:557222

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$SPLASH: splash10-001j-9000000000-ec628d6b0b5979e213d4
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 2.98 30
  29 4 40
  41 5.02 50
  42 2.13 21
  43 25.72 257
  44 1.05 11
  45 1.05 11
  51 1.04 10
  52 20.01 200
  53 11.87 119
  55 4.02 40
  56 1.04 10
  57 2.03 20
  59 2.03 20
  60 1 10
  61 1.01 10
  69 6.82 68
  70 4.01 40
  71 11.83 118
  80 17.83 178
  81 99.99 999
  82 21.52 215
  83 1.02 10
  97 7.89 79
  98 40.82 408
  99 17.95 180
  100 1 10
  101 4.83 48
  115 2.21 22
  167 1.02 10
  196 11.24 112
  197 1 10
//