MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004924

4-METHYLPENTAN-2-ONE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004924
RECORD_TITLE: 4-METHYLPENTAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHYLPENTAN-2-ONE
CH$NAME: 4-METHYL-2-PENTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O
CH$EXACT_MASS: 100.08882
CH$SMILES: CC(C)CC(C)=O
CH$IUPAC: InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
CH$LINK: CAS 108-10-1
CH$LINK: INCHIKEY NTIZESTWPVYFNL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021889

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-052f-9000000000-ef9512a77e6eca91c42f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  42 3.88 39
  43 99.99 999
  44 1.47 15
  55 1.33 13
  56 1.47 15
  57 17.67 177
  58 45.91 459
  59 3.34 33
  67 1.53 15
  85 14.65 147
  100 14.99 150
  101 1.13 11
//

Imprint Feedback
system version 2.2.7

Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium

Responsible: Hannes Bohring

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo