ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009022
RECORD_TITLE: ALLYL 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$NAME: ALLYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂O₃
CH$EXACT_MASS: 156.07864
CH$SMILES: C=CCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C8H12O3/c1-3-6-11-8(10)5-4-7(2)9/h3H,1,4-6H2,2H3
CH$LINK: INCHIKEY NETFSRNRGBJVMU-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$SPLASH: splash10-0006-9000000000-bc7dba27fb5eb2aad6ca
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 5.73 57
  26 3.09 31
  27 11.13 111
  29 4.25 43
  38 1.62 16
  39 17.39 174
  41 48.46 485
  42 6.3 63
  43 99.99 999
  44 2.11 21
  45 1.05 11
  54 1.01 10
  55 11.09 111
  56 5.14 51
  57 7.27 73
  58 5.38 54
  60 6.05 61
  68 3.87 39
  69 1.14 11
  71 9.25 93
  72 2.91 29
  73 2.01 20
  99 66.11 661
  100 4.98 50
  101 1.45 15
  114 1.2 12
  141 1.25 13
//