MassBank Record: JP000684



 7-ACETOAMINOFLAVANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000684
RECORD_TITLE: 7-ACETOAMINOFLAVANONE; 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$NAME: 7-ACETOAMINOFLAVANONE CH$NAME: 7-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(O1)c(c3)C(=O)CC(c(c2)cccc2)1 CH$IUPAC: InChI=1S/C17H15NO3/c1-11(19)18-13-7-8-14-15(20)10-16(21-17(14)9-13)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3,(H,18,19)
AC$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: splash10-0f8l-7970000000-0c2b5bc8463b910f33b3 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 27 4.8 48 28 21.4 214 39 7.5 75 41 0.45 5 42 2.4 24 43 98.9 989 44 2.3 23 45 0.34 3 50 4.1 41 51 16.1 161 52 11.7 117 53 0.55 6 55 2 20 57 2.5 25 63 7.5 75 65 0.43 4 68 4.1 41 76 3.6 36 77 23.3 233 78 1.95 20 79 21.8 218 80 8.5 85 91 8 80 102 0.52 5 103 23.2 232 104 34.1 341 105 6.4 64 106 0.36 4 107 24.5 245 108 5.1 51 109 3.2 32 115 0.2 2 121 3.4 34 131 7.6 76 135 94.3 943 136 3.52 35 137 3.7 37 149 17.8 178 161 4.9 49 162 2.26 23 163 3.7 37 165 3.7 37 177 43.2 432 178 1.36 14 193 2.2 22 196 2.4 24 204 63.6 636 205 0.7 7 210 4.3 43 211 7.8 78 222 3.7 37 238 1.28 13 239 8 80 264 4 40 280 43.2 432 281 99.99 999 282 16.2 162 283 2.4 24 //