MassBank Record: JP001268



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

ACCESSION: JP001268
RECORD_TITLE: 7-METHOXYISOFLAVAN-4BETA-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$NAME: 7-METHOXYISOFLAVAN-4BETA-OL CH$NAME: 7-METHOXY-3-PHENYLCHROMAN-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([H])(O)C(C2)c(c1)cccc1 CH$IUPAC: InChI=1S/C16H16O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-9,14,16-17H,10H2,1H3/t14?,16-/m0/s1
AC$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-1590000000-9ff83737ab9ad89f24a5 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 29 2.7 27 39 2.7 27 51 5 50 62 0.1 1 63 4 40 64 1.3 13 65 2 20 69 0.33 3 74 1 10 75 2 20 76 4 40 77 0.8 8 78 1 10 87 1 10 88 2 20 89 0.4 4 90 0.7 7 91 3 30 92 1 10 102 0.2 2 103 1.3 13 105 6.7 67 114 5 50 118 0.2 2 119 7.3 73 126 1 10 127 1.3 13 128 0.2 2 139 4 40 140 1 10 141 1 10 146 0.13 1 151 2 20 152 7.3 73 153 2 20 160 0.2 2 161 44 440 162 6 60 163 2 20 164 0.17 2 165 18 180 166 7 70 167 2.7 27 176 0.2 2 177 3 30 178 5 50 179 2 20 194 1.23 12 195 5 50 207 4 40 210 1 10 222 0.4 4 223 10 100 224 2 20 237 91 910 238 99.99 999 239 17.3 173 240 1.3 13 //