ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009025
RECORD_TITLE: PENTYL 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$NAME: PENTYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₃
CH$EXACT_MASS: 186.12559
CH$SMILES: CCCCCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C10H18O3/c1-3-4-5-8-13-10(12)7-6-9(2)11/h3-8H2,1-2H3
CH$LINK: INCHIKEY NLDFWNCRMVSDMC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20174131

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$SPLASH: splash10-006y-9000000000-57c4dda3455331e66dad
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 2.77 28
  26 1.44 14
  27 14.09 141
  29 11.61 116
  31 1.03 10
  39 6.14 61
  41 16.2 162
  42 10.04 100
  43 99.99 999
  44 2.55 26
  45 1.08 11
  53 1.27 13
  55 11.97 120
  56 5.94 59
  57 2.65 27
  58 1.3 13
  61 1.1 11
  69 1.27 13
  70 11.32 113
  71 16.06 161
  72 2.56 26
  73 3.26 33
  74 32.2 322
  75 9.84 98
  98 4.48 45
  99 75.04 750
  100 4.45 45
  101 14.52 145
  117 10.67 107
  144 2.89 29
  171 1.33 13
//