ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009024
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₃
CH$EXACT_MASS: 172.10994
CH$SMILES: CC(C)COC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY WETOYPNHZMSVFZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20191005

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$SPLASH: splash10-0007-9000000000-4e4a38b1475d3f910215
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 3.96 40
  26 1.48 15
  27 13.67 137
  29 13.15 132
  31 1.23 12
  39 8.99 90
  41 22.23 222
  42 5.92 59
  43 87.42 874
  44 1.66 17
  55 6.65 67
  56 16.74 167
  57 34.98 350
  58 2.39 24
  71 9.63 96
  72 1.83 18
  73 3.1 31
  74 16.76 168
  75 1.91 19
  98 3.09 31
  99 99.99 999
  100 6.25 63
  101 8.97 90
  117 11.29 113
  130 3.3 33
  157 1.17 12
//