MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008025
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008025
RECORD_TITLE: TRICYCLO(5.4.1.0(3,8))DODECANE-2,6-DIONE; 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$NAME: TRICYCLO(5.4.1.0(3,8))DODECANE-2,6-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O2
CH$EXACT_MASS: 192.11503
CH$SMILES: O=C(C3)C(C1)C(C2)C(C3)C(=O)C(CC2)1
CH$IUPAC: InChI=1S/C12H16O2/c13-11-5-4-9-8-3-1-2-7(12(9)14)6-10(8)11/h7-10H,1-6H2
CH$LINK: INCHIKEY
XIIQXOFOUYTYTF-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-DX-300
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: splash10-004l-9600000000-25c4fbd14ea8f02e88be
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
31 9.99 100
39 38.92 389
41 38.8 388
43 8.32 83
53 27.13 271
54 12.66 127
55 68.78 688
65 1.39 14
66 15.64 156
67 33.27 333
68 19.24 192
69 9.87 99
77 25.27 253
78 8.44 84
79 63.25 633
80 3.83 38
81 25.7 257
82 16.95 170
83 18.13 181
84 8.88 89
91 27.19 272
92 13.66 137
93 28.24 282
94 35.38 354
95 38.86 389
96 24.58 246
97 31.41 314
98 8.81 88
104 10.18 102
105 16.39 164
107 20.36 204
108 1.03 10
109 12.29 123
110 14.46 145
112 12.1 121
119 8.19 82
120 12.17 122
121 25.57 256
122 16.39 164
125 99.99 999
135 16.95 170
136 12.97 130
145 40.16 402
148 13.72 137
163 33.83 338
191 87.46 875
192 9.87 99
//