ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006414
RECORD_TITLE: FURFURYL BUTYRATE; 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$NAME: FURFURYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O₃
CH$EXACT_MASS: 168.07864
CH$SMILES: CCCC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3
CH$LINK: INCHIKEY IXISGRHWGVGCAK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60211357

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$SPLASH: splash10-001i-9000000000-e758b6f3ce7b2e04e1b4
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.12 11
  26 2.01 20
  27 23.02 230
  28 2.48 25
  29 4.48 45
  38 2.08 21
  39 12.27 123
  40 1.21 12
  41 12.18 122
  42 4.84 48
  43 24.76 248
  50 2.08 21
  51 5.25 53
  52 19.81 198
  53 21.14 211
  55 1.31 13
  69 1.59 16
  70 1.51 15
  71 13.65 137
  80 11.02 110
  81 99.99 999
  82 5.25 53
  95 1.77 18
  97 4.7 47
  98 25.31 253
  99 1.26 13
  168 12.5 125
  169 1 10
//