MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000677
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000677
RECORD_TITLE: 6-ACETOXY-3',4'-DIMETHOXYFLAVANONE; 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$NAME: 6-ACETOXY-3',4'-DIMETHOXYFLAVANONE
CH$NAME: 6-ACETOXY-2-(3,4-DIMETHOXYPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H18O6
CH$EXACT_MASS: 342.11034
CH$SMILES: CC(=O)Oc(c3)cc(C(=O)2)c(c3)OC(C2)c(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C19H18O6/c1-11(20)24-13-5-7-16-14(9-13)15(21)10-18(25-16)12-4-6-17(22-2)19(8-12)23-3/h4-9,18H,10H2,1-3H3
CH$LINK: INCHIKEY
RELNJUQGCPEVRP-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$SPLASH: splash10-03dl-3903000000-21b947f99e6875b48ae3
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
42 1.5 15
43 27.1 271
44 1.6 16
45 0.44 4
51 3.7 37
52 2.9 29
53 3.5 35
55 0.16 2
60 2.3 23
63 1.4 14
65 1.7 17
69 0.19 2
77 7.2 72
78 4.7 47
79 3.6 36
89 0.12 1
91 6.8 68
103 5.3 53
107 3.2 32
108 0.21 2
121 5.7 57
135 2.9 29
136 7.2 72
137 0.61 6
138 2.6 26
149 20.2 202
150 2.3 23
151 1.55 16
152 4.7 47
163 3.6 36
164 99.99 999
165 1.09 11
269 1.6 16
282 1.9 19
283 1.3 13
299 0.65 7
300 31.8 318
301 6 60
342 27.1 271
343 5.3 53
//