ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006516
RECORD_TITLE: FURFURYL PENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: FURFURYL PENTANOATE
CH$NAME: FURFURYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₃
CH$EXACT_MASS: 182.09429
CH$SMILES: CCCCC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3
CH$LINK: INCHIKEY HRYAVTBTUKVHBU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8067993

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$SPLASH: splash10-001i-9000000000-365968241922b1cc5499
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  26 1.68 17
  27 17.7 177
  29 12.55 126
  38 1.52 15
  39 9.96 100
  41 11.76 118
  42 2.58 26
  43 1.39 14
  50 1.72 17
  51 3.29 33
  52 16.46 165
  53 18.94 189
  55 2.58 26
  57 14.22 142
  69 1.08 11
  80 10.49 105
  81 99.99 999
  82 7.07 71
  85 9.18 92
  95 1.58 16
  97 3.04 30
  98 23.26 233
  99 1.04 10
  182 9.42 94
//