MassBank Record: JP000703



 8-IODO-4',5,7-TRIMETHOXYFLAVONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000703
RECORD_TITLE: 8-IODO-4',5,7-TRIMETHOXYFLAVONE; 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$NAME: 8-IODO-4',5,7-TRIMETHOXYFLAVONE CH$NAME: 8-IODO-5,7-DIMETHOXY-2-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H15IO5 CH$EXACT_MASS: 437.99642 CH$SMILES: COc(c3)ccc(c3)C(=C2)Oc(c(I)1)c(C(=O)2)c(OC)cc(OC)1 CH$IUPAC: InChI=1S/C18H15IO5/c1-21-11-6-4-10(5-7-11)13-8-12(20)16-14(22-2)9-15(23-3)17(19)18(16)24-13/h4-9H,1-3H3
AC$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-6410900000-c9eca4745cbf56371841 PK$NUM_PEAK: 76 PK$PEAK: m/z int. rel.int. 32 7 70 39 5.5 55 41 2.2 22 43 0.21 2 50 5.6 56 51 5.2 52 53 8.4 84 55 0.26 3 59 2 20 61 2.4 24 62 5.3 53 63 1.34 13 64 5.2 52 65 3.5 35 69 13.7 137 74 0.3 3 75 6 60 76 3 30 77 12.1 121 78 0.35 4 83 3 30 89 19.2 192 90 5 50 91 0.58 6 92 7.1 71 93 8.8 88 95 2.9 29 102 0.2 2 105 2.8 28 107 1.9 19 108 2.3 23 112.5 0.21 2 117 11.9 119 119 8.5 85 120 2.4 24 121 0.35 4 126 2.6 26 127 4.3 43 128 7 70 132 2.56 26 133 4.1 41 134 3.8 38 135 10.2 102 136 0.98 10 139 2.3 23 149 16.3 163 150 2.7 27 159 0.19 2 164 4.4 44 169 2.9 29 179 4.7 47 205 2.08 21 205.5 3.7 37 250 3 30 251 3.4 34 263 0.48 5 265 4.1 41 266 2 20 268 4.3 43 276 1.42 14 277 2 20 281 5.2 52 365 3.3 33 392 1.84 18 393 3.6 36 394 3.3 33 395 3.5 35 407 1.21 12 408 6.7 67 409 23 230 410 4.2 42 421 0.42 4 437 31.4 314 438 99.99 999 439 20 200 440 2.3 23 //