MassBank Record: JP001254



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

ACCESSION: JP001254
RECORD_TITLE: 7-METHOXY(TRANS)FLAVAN-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$NAME: 7-METHOXY(TRANS)FLAVAN-4ALPHA-OL CH$NAME: 7-METHOXY-TRANS-2-PHENYLCHROMAN-4(S)-OL CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H16O3 CH$EXACT_MASS: 256.10994 CH$SMILES: COc(c3)cc(O1)c(c3)C([H])(O)CC([H])(c(c2)cccc2)1 CH$IUPAC: InChI=1S/C16H16O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,14-15,17H,10H2,1H3/t14-,15+/m0/s1
AC$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: splash10-01p9-3980000000-a6c7cf30d607db4ddb05 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 28 8 80 39 4 40 43 3 30 44 0.2 2 50 2 20 51 6 60 52 1 10 63 0.5 5 64 1.3 13 65 3 30 69 4 40 75 0.2 2 76 6 60 77 10.7 107 78 2 20 79 0.1 1 88 1.3 13 89 6 60 91 2.3 23 102 0.2 2 105 6 60 115 5.3 53 118 5 50 119 0.8 8 128 1 10 139 3 30 140 1 10 141 0.1 1 146 2 20 151 2 20 152 6 60 153 0.17 2 160 2 20 161 60 600 162 6 60 163 0.1 1 164 1 10 165 16 160 166 4 40 167 0.2 2 176 2 20 177 3 30 178 4 40 179 0.1 1 194 12 120 195 4 40 207 5 50 222 0.4 4 223 10 100 224 1.3 13 237 99.99 999 238 8.8 88 239 14 140 240 1.3 13 //