MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002130

METHYL ISOPROPYL KETONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002130
RECORD_TITLE: METHYL ISOPROPYL KETONE; 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$NAME: METHYL ISOPROPYL KETONE
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-b377cc181fde8486f9e2
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  15 3.69 37
  27 7.38 74
  28 1.94 19
  29 3.44 34
  39 3.13 31
  41 12.58 126
  42 3.75 38
  43 99.99 999
  44 3.07 31
  45 1.25 13
  57 3.69 37
  71 5.51 55
  86 15.71 157
  87 1.5 15
//