MassBank Record: JP000671



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

ACCESSION: JP000671
RECORD_TITLE: 6-CARBOXYFLAVONOL; 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$NAME: 6-CARBOXYFLAVONOL CH$NAME: 3-HYDROXY-4-OXO-2-PHENYL-4H-CHROMENE-6-CARBOXYLIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H10O5 CH$EXACT_MASS: 282.05282 CH$SMILES: OC(=O)c(c3)cc(C(=O)1)c(c3)OC(c(c2)cccc2)=C(O)1 CH$IUPAC: InChI=1S/C16H10O5/c17-13-11-8-10(16(19)20)6-7-12(11)21-15(14(13)18)9-4-2-1-3-5-9/h1-8,18H,(H,19,20)
AC$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: splash10-001i-6390000000-9c7754cc9560a41c7731 PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 38 1.5 15 39 8.2 82 44 2.1 21 45 0.57 6 50 8.7 87 51 15.9 159 52 2.6 26 53 0.51 5 62 5.4 54 63 13.8 138 64 3.8 38 65 0.32 3 69 1.6 16 74 6.2 62 75 9.4 94 76 0.96 10 77 36.8 368 78 3.9 39 79 1.9 19 81 0.19 2 87 1.6 16 89 13.2 132 90 8.4 84 91 0.36 4 92 1.6 16 102 1.6 16 103 2.9 29 104 0.89 9 105 15.1 151 118 9.5 95 118.5 2.7 27 119 0.58 6 120 2.6 26 127 2.1 21 132 4.8 48 141 0.32 3 148 1.8 18 149 6.2 62 151 3.3 33 152 1.24 12 153 5.5 55 165 4.3 43 181 7.9 79 209 0.23 2 225 10.4 104 226 1.7 17 237 2.5 25 253 0.3 3 254 8.7 87 281 91.5 915 282 99.99 999 283 1.66 17 284 2.1 21 //