MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005532
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005532
RECORD_TITLE: 1,3,4,6-TETRAMETHYL-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 1,3,4,6-TETRAMETHYL-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: CC(=C(C)2)OC(C)(C1)C(C)(C(=O)2)1
CH$IUPAC: InChI=1S/C10H14O2/c1-6-7(2)12-10(4)5-9(10,3)8(6)11/h5H2,1-4H3
CH$LINK: INCHIKEY
VCFJZOLLJFVYCM-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMS-6L
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: splash10-00mo-9200000000-b4a788e5a21d4fb5970f
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
27 3.4 34
28 24 240
29 77.1 771
30 5.1 51
38 2.9 29
39 35.4 354
40 8 80
41 48 480
42 5.1 51
43 99.99 999
44 2.9 29
50 2.9 29
51 5.7 57
52 3.4 34
53 15.4 154
54 48 480
55 9.7 97
56 1.7 17
57 5.7 57
63 1.7 17
65 2.9 29
66 1.7 17
67 16.6 166
68 2.9 29
69 54.3 543
70 4 40
71 1.1 11
77 3.4 34
78 1.1 11
79 3.4 34
80 1.7 17
81 2.9 29
82 2.3 23
83 3.4 34
84 1.7 17
85 9.7 97
91 1.7 17
93 1.7 17
95 5.7 57
97 4.6 46
99 9.7 97
105 1.7 17
107 1.7 17
108 1.7 17
109 17.1 171
110 1.7 17
111 1.7 17
112 2.9 29
113 1.7 17
121 1.1 11
122 1.1 11
123 25.7 257
124 15.4 154
125 4.6 46
126 20 200
127 1.7 17
137 5.7 57
138 1.1 11
149 1.1 11
151 23.4 234
152 2.9 29
165 1.7 17
166 34.3 343
167 6.9 69
168 1.1 11
//