MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000666
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000666
RECORD_TITLE: 5,7-DIMETHYL-4'-HYDROXY-3'-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$NAME: 5,7-DIMETHYL-4'-HYDROXY-3'-METHOXYFLAVANONE
CH$NAME: 2-(4-HYDROXY-3-METHOXYPHENYL)-5,7-DIMETHYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H18O4
CH$EXACT_MASS: 298.12051
CH$SMILES: COc(c(O)3)cc(cc3)C(C1)Oc(c2)c(c(C)cc(C)2)C(=O)1
CH$IUPAC: InChI=1S/C18H18O4/c1-10-6-11(2)18-14(20)9-15(22-17(18)7-10)12-4-5-13(19)16(8-12)21-3/h4-8,15,19H,9H2,1-3H3
CH$LINK: INCHIKEY
LHBVQDKFRXIKGP-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$SPLASH: splash10-0002-1920000000-2cc63e62cfc9d05db0ee
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
31 4.2 42
38 2.7 27
50 2.8 28
64 0.37 4
76 11.7 117
77 2.8 28
90 17.1 171
91 0.25 3
106 7.6 76
118 4.8 48
119 6.5 65
123 0.3 3
134 20 200
136 72.5 725
137 6.9 69
147 1.62 16
148 99.99 999
149 69.6 696
150 6 60
160 0.55 6
161 22.1 221
174 3.5 35
280 2 20
281 0.23 2
297 5.6 56
298 73.7 737
299 12.9 129
//