MassBank Record: JP000699



 6-CARBOXY-4'-CHLOROFLAVONOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000699
RECORD_TITLE: 6-CARBOXY-4'-CHLOROFLAVONOL; 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$NAME: 6-CARBOXY-4'-CHLOROFLAVONOL CH$NAME: 2-(4-CHLOROPHENYL)-3-HYDROXY-4-OXO-4H-CHROMEN-6-CARBOXYLIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H9ClO5 CH$EXACT_MASS: 316.01385 CH$SMILES: OC(=O)c(c3)cc(C(=O)1)c(c3)OC(c(c2)ccc(Cl)c2)=C(O)1 CH$IUPAC: InChI=1S/C16H9ClO5/c17-10-4-1-8(2-5-10)15-14(19)13(18)11-7-9(16(20)21)3-6-12(11)22-15/h1-7,19H,(H,20,21)
AC$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: splash10-014i-6609000000-16608af016127283adde PK$NUM_PEAK: 59 PK$PEAK: m/z int. rel.int. 32 15.8 158 36 3.5 35 38 2.3 23 39 0.46 5 41 4.2 42 44 4.5 45 45 5.4 54 50 0.85 9 51 7.9 79 53 3.9 39 57 2.7 27 62 0.63 6 63 12 120 65 3.4 34 69 20.3 203 73 0.27 3 74 8 80 75 21.7 217 76 10.3 103 77 0.73 7 81 2.3 23 87 3.1 31 89 14.1 141 91 0.35 4 103 4.1 41 104 8.7 87 105 6.1 61 111 1.75 18 112 2.5 25 113 7 70 119 10 100 120 0.3 3 121 3.1 31 123 5.9 59 125 3.4 34 131 0.55 6 131.5 4.1 41 132 9.9 99 136 3 30 139 1.35 14 140 11 110 141 5.4 54 149 18 180 150 0.42 4 151 6.8 68 152 20.4 204 153 3.8 38 158 0.3 3 165 6.2 62 181 3.4 34 225 7.5 75 253 1.39 14 281 9.2 92 288 3.9 39 315 45.1 451 316 99.99 999 317 31.5 315 318 34.4 344 319 6.8 68 //