MassBank Record: JP001124



 2',3'-DIHYDRO-5,7-DIHYDROXY-2',2'-DIMETHYL-3,6'-BI(4H-1-BENZOPYRAN)-4-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001124
RECORD_TITLE: 2',3'-DIHYDRO-5,7-DIHYDROXY-2',2'-DIMETHYL-3,6'-BI(4H-1-BENZOPYRAN)-4-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2',3'-DIHYDRO-5,7-DIHYDROXY-2',2'-DIMETHYL-3,6'-BI(4H-1-BENZOPYRAN)-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H18O5 CH$EXACT_MASS: 338.11542 CH$SMILES: Oc(c4)cc(O3)c(c(O)4)C(=O)C(=C([H])3)c(c2)cc(C1)c(c2)OC(C)(C)C1 CH$IUPAC: InChI=1S/C20H18O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)14-10-24-17-9-13(21)8-15(22)18(17)19(14)23/h3-4,7-10,21-22H,5-6H2,1-2H3
AC$INSTRUMENT: HITACHI RMS-4 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ugi-9221000000-8a0aac3e99d246bb8407 PK$NUM_PEAK: 92 PK$PEAK: m/z int. rel.int. 41 68 680 42 13 130 43 33 330 44 8 80 45 8 80 47 8 80 48 8 80 49 18 180 50 89 890 51 75 750 52 62 620 53 18 180 54 8 80 55 25 250 56 15 150 57 15 150 58 8 80 61 8 80 62 10 100 63 30 300 64 8 80 65 15 150 67 9 90 68 8 80 69 15 150 70 5 50 71 5 50 73 8 80 74 22 220 75 12 120 76 31 310 77 68 680 78 90 900 79 31 310 80 4 40 81 9 90 82 6 60 83 7 70 85 6 60 89 6 60 91 15 150 92 7 70 93 9 90 95 6 60 96 6 60 102 6 60 103 5 50 104 11 110 105 11 110 107 5 50 109 10 100 115 10 100 117 10 100 119 9 90 121 6 60 122 5 50 123 6 60 127 6 60 128 6 60 129 6 60 131 11 110 133 8 80 139 11 110 141 10 100 149 48 480 150 10 100 152 10 100 153 17 170 154 5 50 155 5 50 169 5 50 205 12 120 223 8 80 253 30 300 254 13 130 255 11 110 269 14 140 265 5 50 281 5 50 282 39 390 283 78 780 284 18 180 295 14 140 296 7 70 306 6 60 309 15 150 310 6 60 321 8 80 323 16 160 337 8 80 338 99.99 999 339 25 250 //