ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010608
RECORD_TITLE: ETHYL LEVULINATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL LEVULINATE
CH$NAME: BETA-ACETYLPROPIONIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₃
CH$EXACT_MASS: 144.07864
CH$SMILES: CCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
CH$LINK: INCHIKEY GMEONFUTDYJSNV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047058

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-002g-9100000000-58314b79e586dde6ec61
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 6.1 61
  26 2.7 27
  27 14.6 146
  28 0.92 9
  29 21.1 211
  30 1.7 17
  31 1.7 17
  39 0.17 2
  41 1.4 14
  42 5.4 54
  43 99.99 999
  44 0.24 2
  45 9.2 92
  55 9.5 95
  56 7.5 75
  57 0.75 8
  58 1.7 17
  61 1.4 14
  71 8.8 88
  72 0.14 1
  73 12.2 122
  74 19.4 194
  75 5.8 58
  81 0.1 1
  89 1 10
  98 8.2 82
  99 55.3 553
  100 0.37 4
  101 15.6 156
  102 13.6 136
  103 1 10
  116 0.1 1
  129 14.9 149
  130 1.4 14
  144 8.5 85
  145 1 10
//