MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000674
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000674
RECORD_TITLE: 5,7-DIHYDROXY-6,8-DIMETHYL-4'-METHOXYFLAVANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 5,7-DIHYDROXY-6,8-DIMETHYL-4'-METHOXYFLAVANONE
CH$NAME: MATTEUCINOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H18O5
CH$EXACT_MASS: 314.11542
CH$SMILES: COc(c3)ccc(c3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1
CH$IUPAC: InChI=1S/C18H18O5/c1-9-16(20)10(2)18-15(17(9)21)13(19)8-14(23-18)11-4-6-12(22-3)7-5-11/h4-7,14,20-21H,8H2,1-3H3
CH$LINK: INCHIKEY
DZTRDRPCROOSOG-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-06-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-3950000000-35502bdd8c1bb70efa12
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
32 5.6 56
39 8 80
40 1.2 12
41 0.68 7
43 9.4 94
44 2.6 26
45 2 20
50 0.2 2
51 7.3 73
52 3.6 36
53 4.7 47
54 0.11 1
55 10.8 108
56 1.9 19
57 1.7 17
63 0.23 2
65 4.8 48
66 2.8 28
67 5.7 57
68 0.13 1
69 13.8 138
74 1.1 11
76 1.6 16
77 1.47 15
78 10.7 107
79 3.1 31
81 3.2 32
82 0.33 3
83 12.4 124
89 1.3 13
91 7.1 71
95 0.84 8
96 3.9 39
97 1.6 16
102 2 20
103 1.02 10
104 10.2 102
105 3.2 32
106 1 10
107 0.2 2
110 1 10
111 1 10
115 1.4 14
119 0.3 3
121 5.2 52
123 5.6 56
124 13.8 138
125 0.16 2
128 1.1 11
131 1.8 18
134 8.1 81
135 0.22 2
137 1 10
141 1.3 13
142 5.2 52
149 0.41 4
151 12.4 124
152 91.1 911
153 8.7 87
154 0.14 1
165 1.4 14
178 1.3 13
179 6.1 61
180 99.99 999
181 17.3 173
182 1.7 17
193 1.5 15
206 0.32 3
207 37.8 378
208 4.4 44
241 3.4 34
255 0.13 1
256 1.2 12
266 3.7 37
267 1.3 13
282 0.25 3
283 22.2 222
284 99.6 996
285 20 200
286 0.26 3
313 1.9 19
314 17.3 173
315 3.1 31
//