MassBank Record: JP001266



 4BETA-DEUTERO-7-METHOXYISOFLAVAN-4-OL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001266
RECORD_TITLE: 4BETA-DEUTERO-7-METHOXYISOFLAVAN-4-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 4BETA-DEUTERO-7-METHOXYISOFLAVAN-4-OL CH$NAME: 7-METHOXY-3-PHENYL-4(2H1)CHROMAN-4(S)-OL CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H16O3 CH$EXACT_MASS: 256.10994 CH$SMILES: COc(c3)cc(O2)c(c3)C([2H])(O)C(C2)c(c1)cccc1 CH$IUPAC: InChI=1S/C16H16O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-9,14,16-17H,10H2,1H3/t14?,16-/m1/s1/i16D
AC$INSTRUMENT: HITACHI RMU-6D 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: splash10-000i-1590000000-2646ff995513167f1185 PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 28 2 20 39 2 20 40 1 10 50 0.1 1 51 4 40 52 2 20 63 3 30 64 0.2 2 65 2 20 66 1 10 69 3 30 75 0.13 1 76 2 20 77 8 80 78 2 20 79 0.1 1 83 2 20 90 2 20 91 3 30 92 0.1 1 102 1.3 13 103 2 20 104 1 10 105 0.6 6 115 2 20 116 3.7 37 119 4 40 120 0.1 1 127 0.9 9 128 1 10 129 1.3 13 139 0.1 1 140 3 30 141 1 10 147 1.3 13 151 0.1 1 152 4 40 153 6 60 154 2 20 161 0.2 2 162 41 410 163 5 50 164 2 20 165 0.4 4 166 16 160 167 4 40 168 2.3 23 175 0.1 1 176 2 20 177 3 30 178 4.3 43 179 0.17 2 194 2 20 195 11 110 196 4 40 208 0.4 4 211 1 10 222 1 10 223 3 30 224 0.8 8 225 1 10 237 13.3 133 238 88 880 239 99.99 999 240 14 140 241 1.3 13 //