ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007751
RECORD_TITLE: BUTYL2-FURYLPROPIONATE; 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$NAME: BUTYL2-FURYLPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆O₃
CH$EXACT_MASS: 196.10994
CH$SMILES: CCCCOC(=O)CCc(c1)occ1
CH$IUPAC: InChI=1S/C11H16O3/c1-2-3-8-14-11(12)7-6-10-5-4-9-13-10/h4-5,9H,2-3,6-8H2,1H3
CH$LINK: INCHIKEY LROHTRXJWCXATD-UHFFFAOYSA-N

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$SPLASH: splash10-0002-9600000000-2cf454f116df97b13bed
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  29 1.96 20
  41 5.83 58
  43 10.05 101
  55 3.02 30
  56 1 10
  57 5.24 52
  58 1.04 10
  67 4.16 42
  79 1.81 18
  80 1.12 11
  81 4.98 50
  84 22.78 228
  85 21.03 210
  86 4.85 49
  87 5.23 52
  95 1.77 18
  96 3.04 30
  97 99.99 999
  98 87.36 874
  99 34.13 341
  100 16.18 162
  101 2.06 21
  110 1.91 19
  111 38.34 383
  112 11.15 112
  113 6.21 62
  114 2.02 20
  115 1.03 10
  119 3.47 35
  120 2.03 20
  121 2.01 20
  123 3.82 38
  136 2.09 21
  137 1.07 11
  139 21.69 217
  140 4.23 42
  141 1.07 11
  153 14.42 144
  154 6.13 61
  155 1 10
  167 7.86 79
  168 3.89 39
  196 53.84 538
  197 16.34 163
  198 6.33 63
//