ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009023
RECORD_TITLE: BUTYL 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$NAME: BUTYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₃
CH$EXACT_MASS: 172.10994
CH$SMILES: CCCCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
CH$LINK: CAS 2052-15-5
CH$LINK: INCHIKEY ISBWNEKJSSLXOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3038800

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$SPLASH: splash10-0007-9000000000-dd754b510d9a5b964618
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 4.23 42
  26 1.91 19
  27 15.78 158
  29 20.41 204
  31 1.35 14
  39 7.46 75
  41 20.03 200
  42 5.89 59
  43 99.99 999
  44 1.97 20
  45 1.38 14
  53 1.21 12
  55 9.61 96
  56 16.3 163
  57 18.18 182
  58 2.04 20
  61 1.53 15
  71 9.39 94
  72 2.36 24
  73 5.91 59
  74 37.65 377
  75 8.6 86
  98 5.04 50
  99 78.89 789
  100 5.39 54
  101 18.59 186
  117 8.77 88
  130 6.19 62
  157 2.69 27
//