MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008598
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008598
RECORD_TITLE: 5-METHYL-2-HEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 5-METHYL-2-HEXANONE
CH$NAME: ISOPENTYL METHYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O
CH$EXACT_MASS: 114.10447
CH$SMILES: CC(C)CCC(C)=O
CH$IUPAC: InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY
FFWSICBKRCICMR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5021914
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0006-9000000000-40a76a6003700e807547
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 6.24 62
26 1.05 11
27 12.04 120
29 6.51 65
39 9.31 93
41 14.37 144
42 3.36 34
43 99.99 999
44 1.89 19
53 1.32 13
55 4.07 41
56 3.03 30
57 11.98 120
58 38.6 386
59 9.59 96
71 7.95 80
81 3.32 33
114 1.82 18
//