MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000668
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000668
RECORD_TITLE: 4'-ACETOAMINO-5,7-DIMETHYLFLAVANONE; 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$NAME: 4'-ACETOAMINO-5,7-DIMETHYLFLAVANONE
CH$NAME: 2-(4-ACETAMIDOPHENYL)-5,7-DIMETHYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H19NO3
CH$EXACT_MASS: 309.13649
CH$SMILES: CC(=O)Nc(c3)ccc(c3)C(C1)Oc(c2)c(c(C)cc(C)2)C(=O)1
CH$IUPAC: InChI=1S/C19H19NO3/c1-11-8-12(2)19-16(22)10-17(23-18(19)9-11)14-4-6-15(7-5-14)20-13(3)21/h4-9,17H,10H2,1-3H3,(H,20,21)
CH$LINK: INCHIKEY
XXBMDLRCMGSQSQ-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$SPLASH: splash10-02td-1900000000-97be966ce05af2c4939a
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
39 2.8 28
43 24.9 249
51 2.1 21
65 0.73 7
77 6.3 63
91 29 290
92 5.6 56
93 0.51 5
106 23.2 232
107 2.2 22
117 3.4 34
118 1.58 16
119 99.99 999
120 24.9 249
148 94.6 946
149 5.81 58
150 4.4 44
161 66.4 664
162 7.2 72
175 0.6 6
224 2.2 22
291 2 20
308 5.6 56
309 5.73 57
310 10.8 108
//