MassBank Record: JP000630



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

ACCESSION: JP000630
RECORD_TITLE: 7-ACETOXY-3-METHYLFLAVANONE; 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$NAME: 7-ACETOXY-3-METHYLFLAVANONE CH$NAME: 7-ACETOXY-3-METHYL-2-PHENYLCHROMAN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H16O4 CH$EXACT_MASS: 296.10486 CH$SMILES: CC(=O)Oc(c3)cc(O1)c(c3)C(=O)C(C)C(c(c2)cccc2)1 CH$IUPAC: InChI=1S/C18H16O4/c1-11-17(20)15-9-8-14(21-12(2)19)10-16(15)22-18(11)13-6-4-3-5-7-13/h3-11,18H,1-2H3
AC$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-5920000000-2016ce96775f41436ec4 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 18 56.4 564 27 2.2 22 28 51 510 29 0.11 1 32 12.9 129 39 5 50 41 1.8 18 42 0.15 2 43 36 360 44 2 20 51 7.2 72 52 0.27 3 53 1.4 14 57 1.5 15 63 8.6 86 65 0.55 6 69 3.8 38 77 6.5 65 78 3 30 79 0.31 3 80 1.9 19 81 1.4 14 89 1.4 14 91 2.31 23 92 2.5 25 95 1.4 14 103 3.6 36 105 0.25 3 107 3 30 108 10.1 101 115 12.5 125 116 0.37 4 117 46.2 462 118 99.99 999 119 11.5 115 136 3.68 37 137 53.8 538 138 4.1 41 147 4.5 45 148 0.21 2 149 10.9 109 163 2.6 26 177 43.6 436 178 0.62 6 179 5.1 51 197 2.6 26 219 4 40 239 1.67 17 240 2.1 21 253 7 70 254 43.6 436 255 0.72 7 296 40.2 402 297 6.8 68 //