ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009233
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL 4-OXOPENTANOATE
CH$NAME: ISOPROPYL LEVULINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₃
CH$EXACT_MASS: 158.09429
CH$SMILES: CC(=O)CCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C8H14O3/c1-6(2)11-8(10)5-4-7(3)9/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY MGJRGGIHFUREHT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50176284

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$SPLASH: splash10-0007-9000000000-e81642cd3310f18e5d96
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 6.2 62
  26 1.6 16
  27 14.6 146
  29 0.35 4
  39 7.2 72
  41 14.8 148
  42 6.5 65
  43 99.99 999
  44 2.6 26
  45 2.5 25
  55 6.9 69
  56 1.35 14
  57 2.7 27
  58 1.4 14
  59 2.6 26
  61 0.28 3
  71 8.6 86
  72 2.7 27
  73 6.2 62
  74 2.45 25
  75 2.1 21
  98 2.5 25
  99 69.6 696
  100 0.47 5
  101 13.8 138
  103 1.4 14
  116 6.8 68
  117 0.74 7
  130 1.7 17
  143 3.1 31
//