MassBank Record: JP000691



 6-CARBOXY-3'-NITROFLAVONOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000691
RECORD_TITLE: 6-CARBOXY-3'-NITROFLAVONOL; 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$NAME: 6-CARBOXY-3'-NITROFLAVONOL CH$NAME: 3-HYDROXY-2-(3-NITROPHENYL)-4-OXO-4H-CHROMEN-6-CARBOXYLIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H9NO7 CH$EXACT_MASS: 327.03790 CH$SMILES: [O-1][N+1](=O)c(c3)cc(cc3)C(O1)=C(O)C(=O)c(c2)c(ccc(C(O)=O)2)1 CH$IUPAC: InChI=1S/C16H9NO7/c18-13-11-7-9(16(20)21)4-5-12(11)24-15(14(13)19)8-2-1-3-10(6-8)17(22)23/h1-7,19H,(H,20,21)
AC$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: splash10-03xu-4901000000-f6d6fbdc74ce77fe8146 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 30 5.6 56 39 12.5 125 44 9.8 98 45 0.46 5 50 11.3 113 51 14.6 146 52 6.2 62 53 1.19 12 55 3.3 33 62 6.7 67 63 21.9 219 64 0.5 5 65 6.2 62 69 3.8 38 74 5.8 58 75 1.27 13 76 17.3 173 77 14.6 146 79 3.3 33 81 1.35 14 89 5.8 58 91 6.9 69 92 5.4 54 101 0.42 4 102 28.8 288 103 8.5 85 104 5.6 56 109 0.62 6 118 3.7 37 119 18.1 181 120 5 50 129 0.54 5 130 3.8 38 136 19.6 196 137 6 60 147 0.54 5 148 3.5 35 149 15 150 150 3.1 31 152 0.46 5 164 57.7 577 165 63.5 635 166 7.5 75 176 0.75 8 191 99.99 999 192 10.8 108 238 4.2 42 252 0.63 6 266 6.9 69 268 3.3 33 281 5.8 58 282 0.54 5 283 3.3 33 296 8.5 85 297 3.5 35 312 2.81 28 313 43.1 431 314 7.9 79 327 20.4 204 328 4 40 //