ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007082
RECORD_TITLE: FURFURYL ISOVALERATE; 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$NAME: FURFURYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄O₃
CH$EXACT_MASS: 182.09429
CH$SMILES: CC(C)CC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
CH$LINK: INCHIKEY FKGUIBCHHSHJNQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4065579

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$SPLASH: splash10-001i-9000000000-53a8460f17b1f9b4430b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  26 1.18 12
  27 12.85 129
  29 4.36 44
  38 1.88 19
  39 8.66 87
  41 13.74 137
  42 3.76 38
  43 3.71 37
  50 1.8 18
  51 3.52 35
  52 11.87 119
  53 17.82 178
  54 1.15 12
  55 1.24 12
  57 16.68 167
  59 1.12 11
  69 1.77 18
  70 1.27 13
  80 6.23 62
  81 99.99 999
  82 5.21 52
  85 7.58 76
  95 2.53 25
  96 1.35 14
  97 3.29 33
  98 20.52 205
  99 1.25 13
  182 8.06 81
  183 1.13 11
//