ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009026
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₃
CH$EXACT_MASS: 186.12559
CH$SMILES: CC(C)CCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C10H18O3/c1-8(2)6-7-13-10(12)5-4-9(3)11/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY NYIALINCMIXBSP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30221367

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$SPLASH: splash10-006y-9000000000-0260b458dec69db6a257
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 2.77 28
  26 1.29 13
  27 13.38 134
  29 9.45 95
  39 7.57 76
  41 16.56 166
  42 7.42 74
  43 99.99 999
  44 2.3 23
  45 1.09 11
  53 1.58 16
  55 18.86 189
  56 7.14 71
  57 3.01 30
  58 1.57 16
  69 1.77 18
  70 34.63 346
  71 44.8 448
  72 4.32 43
  73 1.57 16
  74 6.58 66
  98 2.9 29
  99 78.76 788
  100 5.12 51
  101 5.2 52
  117 8.31 83
  144 2.83 28
//