MassBank Record: JP001123



 4',5,7-TRIHYDROXY-3'-(3-METHYL-2-BUTENYL)ISOFLAVONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001123
RECORD_TITLE: 4',5,7-TRIHYDROXY-3'-(3-METHYL-2-BUTENYL)ISOFLAVONE; 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$NAME: 4',5,7-TRIHYDROXY-3'-(3-METHYL-2-BUTENYL)ISOFLAVONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H18O5 CH$EXACT_MASS: 338.11542 CH$SMILES: CC(C)=CCc(c(O)3)cc(cc3)C(=C1)C(=O)c(c(O)2)c(cc(O)c2)O1 CH$IUPAC: InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3
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$SPLASH: splash10-0uel-9653000000-9e7c1c95ff1fcbcaec3b PK$NUM_PEAK: 71 PK$PEAK: m/z int. rel.int. 41 35 350 42 12 120 43 48 480 45 12 120 50 20 200 51 23 230 52 14 140 53 17 170 55 30 300 57 23 230 63 15 150 65 15 150 69 26 260 71 12 120 76 12 120 77 33 330 78 21 210 79 12 120 81 12 120 83 12 120 89 9 90 91 15 150 93 9 90 95 9 90 96 15 150 97 9 90 102 9 90 103 13 130 104 9 90 105 13 130 107 9 90 108 9 90 109 9 90 111 9 90 115 25 250 123 9 90 124 21 210 127 9 90 128 15 150 131 17 170 133 9 90 139 13 130 141 15 150 152 21 210 153 63 630 154 11 110 155 9 90 165 8 80 169 7 70 181 8 80 185 7 70 197 8 80 253 40 400 254 19 190 255 15 150 269 13 130 270 8 80 282 20 200 283 93 930 284 19 190 295 25 250 296 11 110 297 8 80 305 7 70 309 20 200 321 10 100 323 23 230 337 11 110 338 99.99 999 339 25 250 340 5 50 //