MassBank Record: JP001270



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

ACCESSION: JP001270
RECORD_TITLE: 7-METHOXYISOFLAVAN-4ALPHA-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$NAME: 7-METHOXYISOFLAVAN-4ALPHA-OL CH$NAME: 7-METHOXY-3-PHENYLCHROMAN-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([H])(O)C(C2)c(c1)cccc1 CH$IUPAC: InChI=1S/C16H16O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-9,14,16-17H,10H2,1H3/t14?,16-/m1/s1
AC$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-1890000000-373601ba82c154e9907f PK$NUM_PEAK: 55 PK$PEAK: m/z int. rel.int. 28 2 20 39 3 30 50 2 20 51 0.5 5 63 4.7 47 64 1.3 13 65 2.7 27 69 0.4 4 74 1 10 75 2.7 27 76 5 50 77 0.9 9 78 1 10 88 1.7 17 89 4 40 91 0.3 3 102 2 20 103 1 10 105 7 70 115 0.5 5 118 3 30 119 7 70 126 1 10 127 0.13 1 128 2 20 139 4 40 140 1 10 141 0.1 1 146 1 10 151 2 20 152 8 80 153 0.2 2 160 1.3 13 161 43 430 162 7 70 163 0.27 3 164 2 20 165 17.3 173 166 5.3 53 167 0.3 3 176 2 20 177 3 30 178 5 50 179 0.13 1 194 12 120 195 5 50 207 4 40 210 0.1 1 222 3.3 33 223 9 90 224 2 20 237 8.9 89 238 99.99 999 239 21 210 240 2 20 //