MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006308
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006308
RECORD_TITLE: EPOXYFILIFOLONE; 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$NAME: EPOXYFILIFOLONE
CH$NAME: FILIFOLONE EPOXIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: O=C(C(C)(C)3)C([H])(C([H])23)C(C)(O1)C([H])(C2)1
CH$IUPAC: InChI=1S/C10H14O2/c1-9(2)5-4-6-10(3,12-6)7(5)8(9)11/h5-7H,4H2,1-3H3/t5-,6-,7+,10-/m0/s1
CH$LINK: INCHIKEY
UMXWFBSAWGHMMF-DOACCVQLSA-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$SPLASH: splash10-00kf-9000000000-8f3e5ece5b1410dfc8ea
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
40 41.4 414
41 99.99 999
42 30.1 301
43 5.48 55
44 2 20
45 1.5 15
50 5.3 53
51 1.31 13
52 6.3 63
53 33.3 333
54 6.3 63
55 2.05 21
56 2.5 25
57 1.5 15
59 1 10
62 0.15 2
63 3.3 33
64 1 10
65 9.1 91
66 0.4 4
67 47 470
68 23.2 232
69 31.8 318
70 3.03 30
71 2.5 25
77 11.6 116
78 3.3 33
79 1.41 14
80 8.1 81
81 15.7 157
82 32.3 323
83 0.48 5
85 3.8 38
91 7.1 71
92 1.3 13
93 0.45 5
94 2 20
95 46.7 467
96 8.1 81
97 0.33 3
98 32.3 323
99 2.5 25
105 4 40
106 0.1 1
107 5.1 51
108 3.3 33
109 7.3 73
110 0.18 2
111 2.5 25
121 2.3 23
122 2.5 25
123 1.84 18
124 3 30
137 4.8 48
138 4 40
139 0.1 1
148 1.3 13
149 0.5 5
150 0.8 8
151 0.81 8
152 1.3 13
165 0.3 3
166 2 20
167 0.5 5
//