MassBank Record: JP000697



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

ACCESSION: JP000697
RECORD_TITLE: 3-TOSYLOXYFLAVANONE; 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$NAME: 3-TOSYLOXYFLAVANONE CH$NAME: 2-PHENYL-3-TOSYLOXYCHROMAN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H18O5S CH$EXACT_MASS: 394.08749 CH$SMILES: Cc(c4)ccc(c4)S(=O)(=O)OC(C(=O)1)C(c(c3)cccc3)Oc(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C22H18O5S/c1-15-11-13-17(14-12-15)28(24,25)27-22-20(23)18-9-5-6-10-19(18)26-21(22)16-7-3-2-4-8-16/h2-14,21-22H,1H3
AC$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: splash10-022c-6940000000-ff8239af20b12daeb46b PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 38 3.3 33 39 13.3 133 41 1.8 18 50 0.65 7 51 13.3 133 52 3.2 32 53 2.2 22 55 0.15 2 62 2.6 26 63 13.3 133 64 10.8 108 65 2.33 23 66 1.9 19 74 1.9 19 75 2.3 23 76 0.7 7 77 22.5 225 78 7 70 79 3.1 31 89 0.57 6 90 4.7 47 91 62.9 629 92 21.2 212 93 1.17 12 94 1 10 104 1.2 12 105 10.8 108 106 0.13 1 118 2.6 26 119 3.7 37 120 49.2 492 121 99.99 999 122 9.3 93 133 67.5 675 134 7.6 76 149 0.34 3 152 2.2 22 153 1 10 155 1.1 11 165 0.49 5 181 3.8 38 183 5.3 53 211 86.7 867 212 1.37 14 213 1 10 223 1.3 13 240 29.2 292 241 4.5 45 //