MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008843

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

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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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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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
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  57 32.67 327
  58 1.4 14
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  73 1.05 11
  85 3.26 33
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  101 1.1 11
//