MassBank Record: JP000675



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

ACCESSION: JP000675
RECORD_TITLE: 6-HYDROXYFLAVANONE HYDROGENEPHTHALATE; 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$NAME: 6-HYDROXYFLAVANONE HYDROGENEPHTHALATE CH$NAME: 4-OXO-2-PHENYLCHROMAN-6-YL HYDROGEN PHTHALATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C23H16O6 CH$EXACT_MASS: 388.09469 CH$SMILES: OC(=O)c(c4)c(ccc4)C(=O)Oc(c3)cc(C(=O)2)c(c3)OC(C2)c(c1)cccc1 CH$IUPAC: InChI=1S/C23H16O6/c24-19-13-21(14-6-2-1-3-7-14)29-20-11-10-15(12-18(19)20)28-23(27)17-9-5-4-8-16(17)22(25)26/h1-12,21H,13H2,(H,25,26)
AC$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: splash10-000i-4930000000-c6422eeeaac40641f014 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 32 3.6 36 39 3.4 34 50 3.8 38 51 1.08 11 52 15.6 156 53 6.8 68 54 3.4 34 55 0.26 3 63 3.4 34 65 1.3 13 69 2.9 29 74 0.12 1 76 1.4 14 77 10.6 106 78 6.9 69 79 0.36 4 80 12.5 125 81 2 20 82 4.8 48 91 0.22 2 101 4.9 49 102 2.1 21 103 11 110 104 1.13 11 105 1.7 17 107 1.8 18 108 15.6 156 109 0.16 2 129 2 20 131 1.9 19 135 2.9 29 136 99.99 999 137 11.6 116 138 1 10 149 4 40 162 0.1 1 163 14.7 147 164 1.2 12 223 1.6 16 239 1.16 12 240 50.9 509 241 7.9 79 //