MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004924
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
//