MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006306
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006306
RECORD_TITLE: EPOXYCHRYSANTHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: EPOXYCHRYSANTHENONE
CH$NAME: CHRYSANTHENONE EPOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: O=C(C([H])23)C([H])(C(C)(C)3)C(C)(O1)C([H])(C2)1
CH$IUPAC: InChI=1S/C10H14O2/c1-9(2)5-4-6-10(3,12-6)8(9)7(5)11/h5-6,8H,4H2,1-3H3/t5-,6-,8+,10-/m0/s1
CH$LINK: INCHIKEY
MJKUEDLCFFNGOC-LVWRQZDYSA-N
AC$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-066u-9300000000-98c33e08e98a1714acb7
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
40 31.8 318
41 92.2 922
42 10.1 101
43 7.33 73
44 3.1 31
45 2.3 23
50 3.9 39
51 1.01 10
52 5.4 54
53 25.2 252
54 7 70
55 3.57 36
56 3.5 35
57 2.3 23
67 52.7 527
68 1.55 16
69 93 930
70 10.9 109
71 2.3 23
77 1.16 12
78 3.9 39
79 20.5 205
80 7.4 74
81 1.24 12
82 10.5 105
83 8.5 85
85 4.3 43
91 4.57 46
92 7.8 78
93 7.4 74
94 3.9 39
95 1.71 17
96 5.4 54
97 6.6 66
98 69.8 698
99 6.58 66
105 15.5 155
106 3.5 35
107 99.99 999
108 1.12 11
109 10.9 109
110 1.2 12
111 10.5 105
112 0.12 1
121 15.1 151
122 18.3 183
123 15.2 152
124 0.27 3
125 2.3 23
137 2.3 23
138 1.2 12
139 0.43 4
151 5.8 58
165 4.7 47
166 8.1 81
167 1.2 12
//