ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001806
RECORD_TITLE: DIETHYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DIETHYL KETONE
CH$NAME: 3-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O
CH$EXACT_MASS: 86.07316
CH$SMILES: CCC(=O)CC
CH$IUPAC: InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY FDPIMTJIUBPUKL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021820

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a6r-9000000000-c1a7a86d837131566f02
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 1.28 13
  26 3.55 36
  27 17.83 178
  28 6.89 69
  29 81.75 818
  30 2.06 21
  39 1.78 18
  41 1.92 19
  42 1.99 20
  43 3.05 31
  53 1.07 11
  55 1.35 14
  56 4.9 49
  57 99.99 999
  58 3.13 31
  86 16.26 163
  87 1.85 19
//