MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007035
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007035
RECORD_TITLE: 6-METHYL-5-HEPTEN-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$NAME: 6-METHYL-5-HEPTEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O
CH$EXACT_MASS: 126.10447
CH$SMILES: CC(C)=CCCC(C)=O
CH$IUPAC: InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
CH$LINK: INCHIKEY
UHEPJGULSIKKTP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5021629
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$SPLASH: splash10-0006-9000000000-52448d8f5e75dfce2601
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
15 6.41 64
26 1.07 11
27 15.96 160
29 6.85 69
38 1.39 14
39 22.47 225
40 2.93 29
41 54.76 548
42 5.48 55
43 99.99 999
44 1.72 17
45 1.03 10
50 1.29 13
51 2.59 26
52 1.19 12
53 9.08 91
54 1.22 12
55 31.79 318
56 7.54 75
57 1.28 13
58 15.4 154
65 1.52 15
67 11.87 119
68 12.52 125
69 30.62 306
70 1.52 15
71 11.74 117
77 1.41 14
79 1.02 10
81 1.39 14
82 1.31 13
83 6.62 66
93 7.76 78
108 20.74 207
109 1.64 16
111 11.68 117
126 6.05 61
//
system version 2.2.6-SNAPSHOT