ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009231
RECORD_TITLE: ETHYL 4-OXOPENTANOATE; 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$NAME: ETHYL 4-OXOPENTANOATE
CH$NAME: ETHYL LEVULINATE
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0097-9100000000-e17c4b8e6a264be46500
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 1.9 19
  26 2 20
  27 10.9 109
  28 0.7 7
  29 15.6 156
  30 1.3 13
  31 1.1 11
  39 0.16 2
  41 1.3 13
  42 5.8 58
  43 99.99 999
  44 0.22 2
  45 8.4 84
  55 11.6 116
  56 7.5 75
  57 0.79 8
  58 1.7 17
  61 1 10
  71 12.4 124
  72 0.13 1
  73 15.4 154
  74 22.6 226
  75 5.3 53
  98 1.13 11
  99 83.4 834
  100 4.9 49
  101 22.7 227
  102 1.88 19
  103 1.4 14
  129 28.3 283
  130 1.8 18
  144 6.8 68
//