ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007680
RECORD_TITLE: ACETONE; 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$NAME: ACETONE
CH$NAME: 2-PROPANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆O
CH$EXACT_MASS: 58.04186
CH$SMILES: CC(C)=O
CH$IUPAC: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
CH$LINK: CAS 67-64-1
CH$LINK: INCHIKEY CSCPPACGZOOCGX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021482

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$SPLASH: splash10-0006-9000000000-5de48058c986d7c07ac3
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  14 3.08 31
  15 23.21 232
  26 3.08 31
  27 5.51 55
  28 2.77 28
  29 4.36 44
  39 3.85 39
  41 5 50
  42 6.28 63
  43 99.99 999
  44 3.72 37
  55 3.46 35
  56 1.67 17
  57 5.9 59
  58 30 300
  59 1.41 14
//