MassBank Record: JP000637



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

ACCESSION: JP000637
RECORD_TITLE: 3-ETHOXYMETHYLFLAVANONE; 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$NAME: 3-ETHOXYMETHYLFLAVANONE CH$NAME: 3-ETHOXYMETHYL-2-PHENYLCHROMAN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H18O3 CH$EXACT_MASS: 282.12559 CH$SMILES: CCOCC(C(=O)2)C(Oc(c3)c(ccc3)2)c(c1)cccc1 CH$IUPAC: InChI=1S/C18H18O3/c1-2-20-12-15-17(19)14-10-6-7-11-16(14)21-18(15)13-8-4-3-5-9-13/h3-11,15,18H,2,12H2,1H3
AC$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-6970000000-2af93fd2f8b2b06e1a86 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 27 5.1 51 28 5.6 56 29 10.6 106 31 2.17 22 39 5.7 57 41 2.1 21 51 4.7 47 55 0.55 6 59 37.4 374 63 5.3 53 64 5.3 53 65 0.94 9 69 2.1 21 76 2.5 25 77 17 170 78 0.35 4 79 3.6 36 91 15.7 157 92 16.1 161 93 0.41 4 102 2.9 29 103 10.6 106 104 3.2 32 105 2.22 22 115 17.4 174 116 6.9 69 117 21.3 213 118 0.8 8 120 17.4 174 121 42.2 422 131 4.9 49 133 1.83 18 134 2.7 27 147 11.3 113 148 17.4 174 149 0.51 5 161 13.9 139 162 5.4 54 175 2.1 21 207 0.39 4 210 4.7 47 223 99.99 999 224 18.3 183 235 1.17 12 236 9.4 94 237 4.9 49 238 3.6 36 282 15.2 152 //