MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006446

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006446
RECORD_TITLE: 3-METHYL-2-BUTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 3-METHYL-2-BUTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O
CH$EXACT_MASS: 86.07316
CH$SMILES: CC(C)C(C)=O
CH$IUPAC: InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
CH$LINK: INCHIKEY SYBYTAAJFKOIEJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022062

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-a6388c983671d8b26b64
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  15 4.35 44
  26 1.07 11
  27 11.54 115
  28 1.28 13
  38 1.35 14
  39 8.97 90
  41 16.31 163
  42 4.01 40
  43 99.99 999
  44 2.23 22
  45 1.07 11
  71 3.59 36
  86 14.97 150
//