MassBank Record: JP001267



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

ACCESSION: JP001267
RECORD_TITLE: 4ALPHA-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$NAME: 4ALPHA-DEUTERO-7-METHOXYISOFLAVAN-4-OL CH$NAME: 7-METHOXY-3-PHENYL-4(2H1)CHROMAN-4(R)-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$IUPAC: InChI=1S/C16H16O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-9,14,16-17H,10H2,1H3/t14?,16-/m0/s1/i16D
AC$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-2890000000-a02519dc7dc49a913393 PK$NUM_PEAK: 71 PK$PEAK: m/z int. rel.int. 28 4 40 31 2.3 23 39 2 20 45 0.1 1 50 1 10 51 4.6 46 52 2 20 63 0.3 3 64 2 20 65 2.5 25 66 1 10 69 0.33 3 75 1.7 17 76 2 20 77 9 90 78 0.2 2 79 1 10 83 2 20 89 1.7 17 90 0.2 2 91 3 30 92 1.3 13 93 1 10 102 0.15 2 103 2.3 23 104 1 10 105 7 70 109 0.1 1 115 2 20 116 4 40 119 4.7 47 120 0.1 1 127 0.7 7 128 1 10 129 1.3 13 139 0.1 1 140 3 30 141 1.7 17 142 1.3 13 147 0.15 2 151 1.5 15 152 4 40 153 7 70 154 0.2 2 161 1.3 13 162 48 480 163 6 60 164 0.2 2 165 4.7 47 166 19 190 167 5 50 168 0.3 3 169 1 10 176 2 20 177 3 30 178 0.5 5 179 1.7 17 194 2 20 195 13 130 196 0.5 5 208 4.7 47 211 1.7 17 222 1 10 223 0.3 3 224 10 100 225 1 10 237 14 140 238 8.1 81 239 99.99 999 240 16 160 241 1.3 13 //