MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006604
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006604
RECORD_TITLE: FENCHONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: FENCHONE
CH$NAME: 1,3,3-TRIMETHYLBICYCLO(2.2.1)HEPTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=C(C(C)(C)1)C(C)(C2)CC(C2)1
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY
LHXDLQBQYFFVNW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9025324
AC$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: splash10-001i-9000000000-a6f20ad638918f01e975
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 9.17 92
29 4.42 44
39 14.41 144
40 1.91 19
41 30.69 307
42 3.55 36
43 2.75 28
51 2.14 21
52 1.07 11
53 7.55 76
54 1.27 13
55 4.42 44
65 2.12 21
67 8.12 81
68 3.85 39
69 51.54 515
70 3.46 35
72 1.51 15
77 2.72 27
79 3.91 39
80 12.74 127
81 99.99 999
82 8.7 87
91 1.64 16
95 1.17 12
109 6.05 61
137 1.32 13
152 12.24 122
153 1.3 13
//