MassBank Record: TY000002



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

ACCESSION: TY000002
RECORD_TITLE: Ginsenoside Rc; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2008.08.19, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Ginsenoside Rc CH$NAME: beta-D-Glucopyranoside, (3beta,12beta)-20-[(6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl- CH$NAME: Dammarane, beta-D-glucopyranoside deriv. CH$NAME: NSC 310104 CH$NAME: Panaxoside Rc CH$COMPOUND_CLASS: Natural Product; Saponin CH$FORMULA: C53H90O22 CH$EXACT_MASS: 1078.59237 CH$SMILES: C(C8)(C(C(C)3C(C([H])78)(CCC(C74C)([H])C(C)(C)C(OC([H])(C5OC([H])(O6)C(C(C(O)C(CO)6)O)O)OC(C(O)C5O)CO)CC4)C)(C(CC3)([H])C(CCC=C(C)C)(OC(O1)C(C(O)C(C1COC(C(O)2)OC(CO)C2O)O)O)C)[H])O CH$IUPAC: InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-68-45-41(65)36(60)28(21-56)69-45)24-11-16-52(7)33(24)25(57)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)35(59)27(20-55)71-48)74-46-42(66)38(62)34(58)26(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28-,29+,30-,31+,32-,33-,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,50-,51+,52+,53-/m0/s1 CH$LINK: CAS 11021-14-0 CH$LINK: CHEMSPIDER 90374 19974869 CH$LINK: NIKKAJI J61.214F CH$LINK: PUBCHEM CID:100018
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$MASS_SPECTROMETRY: CDL_SIDE_OCTOPOLES_BIAS_VOLTAGE -2.0V AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200.0C AC$MASS_SPECTROMETRY: COLLISION_GAS Ar AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: IT_SIDE_OCTOPOLES_BIAS_VOLTAGE 0.5V AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000) AC$MASS_SPECTROMETRY: SKIMMER_VOLTAGE -3.5V 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$CHROMATOGRAPHY: RETENTION_TIME 976.000 sec AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-d7229112310d8c8ea497 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 568.3002 1902125 180 568.7937 1394909 132 945.5375 1361104 129 946.5379 720828 68 1077.5832 10569203 999 1078.0840 6835649 646 1078.5848 8241081 779 1079.0844 2379320 225 1079.5776 2049497 194 1080.5821 546183 52 1191.5721 2067489 195 1192.5789 1276006 121 //