MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000658
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000658
RECORD_TITLE: 5,7-DIMETHYL-3',4'-METHYLENEDIOXYFLAVANONE; 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$NAME: 5,7-DIMETHYL-3',4'-METHYLENEDIOXYFLAVANONE
CH$NAME: 5,7-DIMETHYL-2-(3,4-METHYLENEDIOXYPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H16O4
CH$EXACT_MASS: 296.10486
CH$SMILES: Cc(c4)cc(O1)c(c(C)4)C(=O)CC1c(c2)cc(O3)c(OC3)c2
CH$IUPAC: InChI=1S/C18H16O4/c1-10-5-11(2)18-13(19)8-15(22-17(18)6-10)12-3-4-14-16(7-12)21-9-20-14/h3-7,15H,8-9H2,1-2H3
CH$LINK: INCHIKEY
SPBSYOLNSKXKCE-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:101621217
AC$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: splash10-0002-1930000000-fcec7753a370687931d1
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
39 2.6 26
51 2.3 23
63 3.5 35
65 0.31 3
77 2.7 27
89 10 100
90 2.2 22
91 1.47 15
119 3.1 31
120 4.1 41
122 2 20
135 5.63 56
136 5.6 56
147 26.9 269
148 99.99 999
149 2.24 22
161 5.8 58
295 3.2 32
296 52.7 527
297 9.3 93
//