MassBank Record: JP001248



 3,3-DIDEUTEROFLAVAN-4-OL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001248
RECORD_TITLE: 3,3-DIDEUTEROFLAVAN-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$NAME: 3,3-DIDEUTEROFLAVAN-4-OL CH$NAME: 2-PHENYL(3,3-2H2)CHROMAN-4-OL CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H14O2 CH$EXACT_MASS: 226.09938 CH$SMILES: c(c3)ccc(c3)C(O1)C([2H])([2H])C(O)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/i10D2
AC$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: splash10-0a4i-0940000000-c299d5775caed9fe255a PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 104 4 40 105 25 250 106 99.99 999 107 1.3 13 108 1 10 109 0.3 3 120 0.5 5 121 0.6 6 122 25 250 123 3 30 131 1 10 132 0.5 5 133 0.3 3 150 4.3 43 206 0.3 3 207 0.5 5 208 21 210 209 30 300 210 7 70 211 0.1 1 212 0.3 3 225 0.3 3 226 1.3 13 227 0.43 4 228 18 180 229 3.3 33 //