MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000661
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000661
RECORD_TITLE: 6,8-DIMETHYL-2'-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$NAME: 6,8-DIMETHYL-2'-METHOXYFLAVANONE
CH$NAME: 2-(2-METHOXYPHENYL)-6,8-DIMETHYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H18O3
CH$EXACT_MASS: 282.12559
CH$SMILES: COc(c3)c(ccc3)C(C1)Oc(c(C)2)c(cc(C)c2)C(=O)1
CH$IUPAC: InChI=1S/C18H18O3/c1-11-8-12(2)18-14(9-11)15(19)10-17(21-18)13-6-4-5-7-16(13)20-3/h4-9,17H,10H2,1-3H3
CH$LINK: INCHIKEY
QMWLBAVBYOGPTM-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$SPLASH: splash10-001j-3950000000-1114495d0071275fbb21
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
32 4.2 42
39 4.3 43
41 2.1 21
51 0.39 4
63 2.4 24
65 11.6 116
77 7.7 77
78 0.24 2
89 2.7 27
91 55.2 552
92 6 60
103 0.26 3
105 3.8 38
108 2.7 27
119 32.8 328
120 5.06 51
121 9.5 95
134 36.5 365
135 3.1 31
141 0.2 2
147 2.7 27
148 99.99 999
149 23.7 237
174 0.25 3
175 11.6 116
250 4.3 43
251 26.6 266
252 0.35 4
267 2.3 23
281 9.5 95
282 81.7 817
283 15.8 158
//