MassBank Record: JP000713



 7-ACETAMINO-3',4'-METHYLENDIOXYFLAVANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000713
RECORD_TITLE: 7-ACETAMINO-3',4'-METHYLENDIOXYFLAVANONE; 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$NAME: 7-ACETAMINO-3',4'-METHYLENDIOXYFLAVANONE CH$NAME: 7-ACETAMIDO-2-(3,4-METHYLENEDIOXYPHENYL)CHROMAN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H15NO5 CH$EXACT_MASS: 325.09502 CH$SMILES: CC(=O)Nc(c4)cc(O1)c(c4)C(=O)CC1c(c2)cc(O3)c(OC3)c2 CH$IUPAC: InChI=1S/C18H15NO5/c1-10(20)19-12-3-4-13-14(21)8-16(24-17(13)7-12)11-2-5-15-18(6-11)23-9-22-15/h2-7,16H,8-9H2,1H3,(H,19,20)
AC$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: splash10-000b-5901000000-d854bb2c20222d021528 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 32 2.4 24 39 3.8 38 41 2.5 25 42 0.22 2 43 41.6 416 44 4 40 45 11.9 119 51 0.43 4 52 2.9 29 53 2.1 21 60 7.7 77 62 0.13 1 63 7.1 71 64 2 20 65 3.2 32 69 0.26 3 77 2.4 24 78 3.1 31 79 4.2 42 80 0.33 3 89 14.7 147 90 3.6 36 91 5.1 51 92 0.14 1 106 1.7 17 107 3.1 31 108 1.5 15 109 0.13 1 117 2.8 28 122 5.8 58 135 54.4 544 136 2.4 24 137 3.6 36 145 3.4 34 146 1.8 18 147 2.56 26 148 99.99 999 149 16.4 164 150 1.7 17 151 0.24 2 161 2.8 28 162 3.8 38 175 2.7 27 176 0.15 2 178 6.6 66 193 2.6 26 204 8.6 86 254 0.22 2 255 3 30 266 1.3 13 282 4.5 45 283 0.27 3 297 1.4 14 308 2.3 23 324 18.4 184 325 5.84 58 326 10.7 107 327 2 20 //