MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008404
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008404
RECORD_TITLE: 6-METHYL-5-OCTEN-2-ONE; 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$NAME: 6-METHYL-5-OCTEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O
CH$EXACT_MASS: 140.12012
CH$SMILES: CCC(C)=CCCC(C)=O
CH$IUPAC: InChI=1S/C9H16O/c1-4-8(2)6-5-7-9(3)10/h6H,4-5,7H2,1-3H3/b8-6+
CH$LINK: INCHIKEY
SAXWRVSDVXCTEL-SOFGYWHQSA-N
AC$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: splash10-0006-9000000000-9420f6cf7aec67fc00cb
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 5.9 59
26 1 10
27 15.95 160
29 11.1 111
39 18.72 187
40 1.92 19
41 33.22 332
42 4.19 42
43 99.99 999
44 1.99 20
45 1.15 12
51 2.25 23
52 1.27 13
53 8.26 83
54 2.69 27
55 59.91 599
56 3.38 34
57 1.71 17
58 5.3 53
65 1.84 18
67 34.02 340
68 2.27 23
69 4.64 46
70 6.9 69
71 8.23 82
77 1.57 16
79 2.14 21
81 6.79 68
82 38.47 385
83 8.85 89
93 2.14 21
97 2.07 21
107 2.44 24
111 8.82 88
122 10.68 107
125 1.44 14
140 1.72 17
//