ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009027
RECORD_TITLE: HEXYL LEVULINATE; 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$NAME: HEXYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₃
CH$EXACT_MASS: 200.14124
CH$SMILES: CCCCCCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C11H20O3/c1-3-4-5-6-9-14-11(13)8-7-10(2)12/h3-9H2,1-2H3
CH$LINK: INCHIKEY HBBVKEXMLPMFQQ-UHFFFAOYSA-N

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$SPLASH: splash10-0007-9000000000-30250a27cf1d4371cebd
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 2.54 25
  26 1.2 12
  27 12.83 128
  29 9.69 97
  31 1.05 11
  39 5.47 55
  41 19.94 199
  42 8.67 87
  43 99.99 999
  44 2.32 23
  53 1.42 14
  55 12.68 127
  56 13.74 137
  57 6.92 69
  58 1.3 13
  69 3.1 31
  71 7.41 74
  72 2.38 24
  73 2.49 25
  74 26.88 269
  75 10.15 102
  84 8.44 84
  85 10.53 105
  98 3.86 39
  99 78.71 787
  100 3.94 39
  101 11.94 119
  117 13.21 132
  158 1.67 17
//