ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006490
RECORD_TITLE: ISOBUTYL 3-(2-FURYL)PROPIONATE; 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$NAME: ISOBUTYL 3-(2-FURYL)PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O₃
CH$EXACT_MASS: 196.10994
CH$SMILES: CC(C)COC(=O)CCc(c1)occ1
CH$IUPAC: InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
CH$LINK: COMPTOX DTXSID4051532
CH$LINK: INCHIKEY SVDPTFHRRNUNRS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7733

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$SPLASH: splash10-000x-9200000000-69355688cd3cbf9c4c7a
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 14.18 142
  28 2.77 28
  29 15.09 151
  38 1.89 19
  39 16.64 166
  40 2.8 28
  41 28.94 289
  42 2.59 26
  43 6.93 69
  51 2.17 22
  52 1.86 19
  53 12.01 120
  55 3.04 30
  56 1.21 12
  57 30.88 309
  58 1.25 13
  63 1.08 11
  65 6.44 64
  66 4.39 44
  67 5.79 58
  68 2.58 26
  81 99.99 999
  82 6.08 61
  94 41.25 413
  95 12.02 120
  97 17.62 176
  123 18.89 189
  124 1.41 14
  139 9.54 95
  140 31.69 317
  141 2.79 28
  196 14.18 142
  197 1.51 15
//