ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004919
RECORD_TITLE: ACETYLACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ACETYLACETONE
CH$NAME: 2,4-PENTANEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₂
CH$EXACT_MASS: 100.05243
CH$SMILES: CC(=O)CC(C)=O
CH$IUPAC: InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
CH$LINK: INCHIKEY YRKCREAYFQTBPV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021979

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-9100000000-f1c22c3e7618740489d1
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  42 5.74 57
  43 99.99 999
  44 1.73 17
  55 1.5 15
  58 4.14 41
  72 4.08 41
  85 44.2 442
  100 31.78 318
  101 1.92 19
//