MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001802
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001802
RECORD_TITLE: ISOBUTYL METHYL 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
CH$NAME: ISOBUTYL METHYL KETONE
CH$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: INCHIKEY
NTIZESTWPVYFNL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5021889
AC$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
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9000000000-a74860e5429fbdddd4ec
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
15 3.19 32
18 1.06 11
27 4.99 50
28 2.45 25
29 9.81 98
39 5.56 56
41 17.42 174
42 3.35 34
43 99.99 999
44 2.45 25
57 20.28 203
58 37.94 379
59 2.37 24
67 1.55 16
85 14.39 144
100 11.69 117
101 1.72 17
//