MassBank Record: TY000013



 Ginsenoside Rd; LC-ESI-ITTOF; MS; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000013
RECORD_TITLE: Ginsenoside Rd; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2008.09.03, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Ginsenoside Rd CH$NAME: beta-D-Glucopyranoside, (3beta,12beta)-20-(beta-D-glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl- CH$NAME: Dammarane, beta-D-glucopyranoside deriv CH$NAME: Gypenoside VIII CH$NAME: EINECS 258-118-5 CH$NAME: LS-71531 CH$NAME: 2-O-beta-D-Glucopyranosyl-(3beta,12beta)-20-(beta-D-glucopyranosyloxy)-12-hydroxydammara-24-en-3-yl-beta-D-glucopyranoside CH$NAME: Dammar-24-ene-3,12,20-triol,3-O-[beta-D-Glucopyranosyl-(1->2)-beta-D-glucopyranoside], 20-O-beta-D-glucopyranoside CH$COMPOUND_CLASS: Natural Product; Saponin CH$FORMULA: C48H82O18 CH$EXACT_MASS: 946.55012 CH$SMILES: C(C1)(O)C(C([H])6C(C)(CCC=C(C)C)OC(C(O)7)OC(CO)C(C(O)7)O)([H])C(C)(CC6)C(C)(C5)C1(C(C2)(C)C(C5)(C(C)(C)C(OC(O3)(C(OC([H])(C(O)4)OC(C(O)C4O)CO)C(O)C(C3CO)O)[H])C2)[H])[H] CH$IUPAC: InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1 CH$LINK: CAS 52705-93-8 CH$LINK: CHEMSPIDER 9854528 CH$LINK: NIKKAJI J61.215D CH$LINK: PUBCHEM CID:3036963 CID:11679800
AC$INSTRUMENT: Shimadzu LC20A-IT-TOFMS AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200.0C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 150-2000) AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 1053.099 sec AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-0002-2000000009-b4fe3cb8b8ea851c5b6d PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 502.2780 506874 131 502.7817 287087 74 532.2900 221109 57 945.5424 3860452 999 946.0425 1927935 499 946.5445 2302588 596 947.0448 622692 161 947.5435 639437 165 1005.5616 597436 155 1006.5711 363240 94 1008.5483 292416 76 1059.5369 844710 219 1060.5373 555591 144 //