MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000733
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000733
RECORD_TITLE: 6-ACETAMINOFLAVANONE; 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$NAME: 6-ACETAMINOFLAVANONE
CH$NAME: 6-ACETAMIDO-2-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H15NO3
CH$EXACT_MASS: 281.10519
CH$SMILES: CC(=O)Nc(c3)cc(C(=O)2)c(c3)OC(C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H15NO3/c1-11(19)18-13-7-8-16-14(9-13)15(20)10-17(21-16)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,18,19)
CH$LINK: INCHIKEY
FXLWPUMMSQFKLQ-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$SPLASH: splash10-005i-4930000000-23c4a577433e859f7505
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
27 2.5 25
28 12.2 122
29 2.3 23
31 0.26 3
39 2.7 27
41 2.1 21
43 35.3 353
45 0.32 3
51 7.9 79
52 8.8 88
53 4.9 49
77 1.18 12
78 9.1 91
79 22.8 228
80 6.5 65
91 0.25 3
103 10.9 109
104 8.8 88
105 2.4 24
106 0.53 5
107 17 170
108 2.5 25
131 3 30
134 1.4 14
135 99.99 999
136 9.9 99
149 5.7 57
162 0.31 3
177 72.8 728
178 9.3 93
204 8.6 86
238 0.33 3
239 5 50
280 6.8 68
281 81.6 816
282 1.44 14
283 2.7 27
//