MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008405
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008405
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-af7e9d8d4057c9068905
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 6.02 60
27 15.83 158
29 11.2 112
39 17.93 179
40 3.1 31
41 31.88 319
42 4.17 42
43 99.99 999
44 1.71 17
45 1.34 13
51 2.92 29
52 1.25 13
53 8.59 86
54 3.57 36
55 59.2 592
56 3.59 36
57 1.69 17
58 6.43 64
65 1.82 18
67 31.48 315
68 2.63 26
69 4.65 47
70 7.08 71
71 8.75 88
77 1.45 15
79 2.49 25
81 6.9 69
82 38.81 388
83 8.82 88
93 2 20
97 2.36 24
107 2.95 30
111 8.88 89
122 11.36 114
123 1 10
125 1.51 15
140 1.91 19
//