MassBank Record: JP002072



 2-(3,4-DIMETHOXYPHENYL)ETHYL BETA-(D)-GLUCOPYRANOSIDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002072
RECORD_TITLE: 2-(3,4-DIMETHOXYPHENYL)ETHYL BETA-(D)-GLUCOPYRANOSIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(3,4-DIMETHOXYPHENYL)ETHYL BETA-(D)-GLUCOPYRANOSIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H24O8 CH$EXACT_MASS: 344.14712 CH$SMILES: COc(c1)c(OC)cc(CCOC(O2)C(O)C(O)C(O)C(CO)2)c1 CH$IUPAC: InChI=1S/C16H24O8/c1-21-10-4-3-9(7-11(10)22-2)5-6-23-16-15(20)14(19)13(18)12(8-17)24-16/h3-4,7,12-20H,5-6,8H2,1-2H3
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-02t9-1900000000-98fb14be0a2e18c5adf4 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 28 2.7 27 43 4.6 46 45 5.2 52 57 0.75 8 60 9 90 61 3.6 36 69 3.7 37 71 0.26 3 73 8.1 81 85 5.1 51 91 4.5 45 105 0.5 5 121 2.9 29 134 4 40 135 4.4 44 137 0.38 4 138 8.2 82 149 5.4 54 150 10.2 102 151 3.85 39 152 7.6 76 164 88.7 887 165 99.99 999 193 0.2 2 166 17.9 179 167 3.6 36 182 2.4 24 210 0.75 8 344 20.1 201 345 4.3 43 //