MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004381
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004381
RECORD_TITLE: TRICYCLO(5,3,1,0(3,8))UNDECANE-4,11-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAGIWARA H, CHEM. RES. INST. OF NON-AQUEOUS SOLUTIONS, TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TRICYCLO(5,3,1,0(3,8))UNDECANE-4,11-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: O=C(C3)C(C1)C(C2)C(C3)C(=O)C(C2)1
CH$IUPAC: InChI=1S/C11H14O2/c12-10-4-3-8-7-2-1-6(11(8)13)5-9(7)10/h6-9H,1-5H2
CH$LINK: INCHIKEY
KXAJCRZRVFLWNW-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:14778506
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$SPLASH: splash10-0059-9600000000-a14901b416bedf63cfe4
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
39 29.86 299
41 26.72 267
42 3.03 30
50 2.19 22
51 7.6 76
52 4.92 49
53 17.91 179
54 9.43 94
55 50.83 508
63 2.17 22
65 9.41 94
66 15.11 151
67 26.34 263
68 12.09 121
69 2.02 20
77 20.12 201
78 15.77 158
79 57.07 571
80 46.15 462
81 33.64 336
82 10.9 109
83 5.04 50
84 2.32 23
91 2.01 20
92 7.7 77
93 24.23 242
94 20.66 207
95 27.87 279
96 44.08 441
99 8.48 85
100 9.06 91
104 0.73 7
105 7.21 72
106 6.6 66
107 19.32 193
108 14.43 144
109 5.95 60
110 3.28 33
113 10.31 103
118 6.66 67
119 3.2 32
121 10.98 110
122 42.12 421
123 7.23 72
124 23.51 235
131 4.83 48
132 3.3 33
133 3.02 30
135 6.03 60
136 15.68 157
137 3.52 35
149 8.49 85
150 48.49 485
151 5.56 56
164 2.69 27
178 99.99 999
179 14.17 142
//