MassBank Record: JP001253



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

ACCESSION: JP001253
RECORD_TITLE: 7-METHOXY(TRANS)FLAVAN-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$NAME: 7-METHOXY(TRANS)FLAVAN-4BETA-OL CH$NAME: 7-METHOXY-TRANS-2-PHENYLCHROMAN-4(R)-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$IUPAC: InChI=1S/C16H16O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,14-15,17H,10H2,1H3/t14-,15+/m1/s1
AC$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-2690000000-cf33074104c76bb07c7c PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 28 7 70 39 4 40 43 2 20 50 0.2 2 51 7 70 52 1.3 13 62 1 10 63 0.6 6 64 2 20 65 3 30 69 4.7 47 74 0.1 1 75 2 20 76 4.7 47 77 10 100 78 0.2 2 79 1 10 88 2 20 89 7.3 73 90 0.13 1 91 3 30 92 1 10 102 2.3 23 103 0.1 1 105 7 70 115 7 70 118 6.7 67 119 0.87 9 126 1 10 127 1.3 13 128 2 20 133 0.1 1 139 3 30 140 1 10 141 1 10 146 0.3 3 150 1 10 151 3 30 152 8 80 153 0.2 2 161 68 680 162 6.7 67 163 1.3 13 164 0.13 1 165 16.7 167 166 4 40 167 3 30 176 0.3 3 177 4 40 178 4.7 47 179 2 20 194 1.2 12 195 4.7 47 205 1 10 207 5.3 53 210 0.13 1 222 4 40 223 11 110 224 2 20 237 99.99 999 238 93 930 239 15 150 240 2 20 //