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MassBank Record: JP009752

2-PENTANONE; EI-B; MS

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

ACCESSION: JP009752
RECORD_TITLE: 2-PENTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10O
CH$EXACT_MASS: 86.07316
CH$SMILES: CCCC(C)=O
CH$IUPAC: InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
CH$LINK: INCHIKEY XNLICIUVMPYHGG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021888

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-b4ba5ddb582a624253c0
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  27 3 30
  41 8.2 82
  42 1.6 16
  43 99.99 999
  44 2.4 24
  58 15 150
  71 16.4 164
  72 0.1 1
  86 32.2 322
  87 2.1 21
//

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