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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008843

3-METHYL-2-PENTANONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008843
RECORD_TITLE: 3-METHYL-2-PENTANONE; 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$NAME: 3-METHYL-2-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CCC(C)C(C)=O
CH$IUPAC: InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
CH$LINK: INCHIKEY UIHCLUNTQKBZGK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021634

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$SPLASH: splash10-0006-9000000000-378713dba02a64b13065
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 5.52 55
  27 8.55 86
  28 2.27 23
  29 29.42 294
  31 4.07 41
  39 5.52 55
  41 31.34 313
  42 2.97 30
  43 99.99 999
  44 2.79 28
  45 3.49 35
  55 3.43 34
  56 10.93 109
  57 32.67 327
  58 1.4 14
  72 20.06 201
  73 1.05 11
  85 3.26 33
  100 5.58 56
  101 1.1 11
//

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