MassBank Record: JP000690



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

ACCESSION: JP000690
RECORD_TITLE: 3'-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$NAME: 3'-CHLOROFLAVONOL CH$NAME: 2-(3-CHLOROPHENYL)-3-HYDROXY-4H-CHROMEN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H9ClO3 CH$EXACT_MASS: 272.02402 CH$SMILES: Clc(c3)cc(cc3)C(O1)=C(O)C(=O)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C15H9ClO3/c16-10-5-3-4-9(8-10)15-14(18)13(17)11-6-1-2-7-12(11)19-15/h1-8,18H
AC$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: splash10-00di-2390000000-fb5db96035acd2f736c6 PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 32 2.8 28 36 2.1 21 38 1.7 17 39 0.42 4 41 1.7 17 43 1.7 17 50 6.9 69 51 0.62 6 62 2.6 26 63 7 70 64 4.8 48 65 0.41 4 69 1.7 17 74 3.2 32 75 8.7 87 76 1.4 14 77 8.7 87 87 1.6 16 89 5.5 55 92 0.86 9 93 2.4 24 104 9.2 92 105 6.7 67 111 0.95 10 113 3.1 31 118 8.5 85 118.5 3.1 31 120 0.57 6 121 5.5 55 123 1.8 18 136 1.9 19 139 0.39 4 149 11.5 115 150 1.9 19 151 3.1 31 152 1.3 13 153 5.2 52 181 13.3 133 182 1.6 16 208 0.32 3 209 15.5 155 210 2.4 24 215 2.6 26 237 1.25 13 238 2.7 27 243 1.6 16 244 4.6 46 246 0.17 2 271 48.1 481 272 99.99 999 273 30.8 308 274 3.37 34 275 5.4 54 //