ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009232
RECORD_TITLE: PROPYL 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$NAME: PROPYL 4-OXOPENTANOATE
CH$NAME: PROPYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₃
CH$EXACT_MASS: 158.09429
CH$SMILES: CCCOC(=O)CCC(C)=O
CH$IUPAC: InChI=1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3
CH$LINK: INCHIKEY QOSMNYMQXIVWKY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70214753

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$SPLASH: splash10-0006-9100000000-34c91c962a120e792e12
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 4.6 46
  26 2 20
  27 17.7 177
  29 0.6 6
  31 1.8 18
  39 5.8 58
  41 11.6 116
  42 0.73 7
  43 99.99 999
  44 1.8 18
  45 1.3 13
  55 0.69 7
  56 6.1 61
  57 2.6 26
  58 1.2 12
  59 0.11 1
  61 1.1 11
  71 8 80
  72 1.3 13
  73 0.61 6
  74 26.8 268
  75 10.3 103
  98 4.9 49
  99 6.53 65
  100 3.4 34
  101 14.4 144
  116 7 70
  117 0.73 7
  143 5.2 52
//