MassBank Record: TY000031



 Ginsenoside Rg1; LC-ESI-ITTOF; MS; [M+Na]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000031
RECORD_TITLE: Ginsenoside Rg1; LC-ESI-ITTOF; MS; [M+Na]+
DATE: 2016.01.19 (Created 2008.09.24, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Ginsenoside Rg1 CH$NAME: beta-D-Glucopyranoside, (3beta,6alpha,12beta)-3,12-dihydroxydammar-24-ene-6,20-diyl bis- CH$NAME: Panaxoside A CH$NAME: Dammarane, beta-D-glucopyranoside deriv CH$NAME: Ginsenoside A2 CH$NAME: Ginsenoside g1 CH$NAME: Panaxoside Rg1 CH$NAME: Sanchinoside C1 CH$NAME: Sanchinoside Rg1 CH$NAME: Dammar-24-ene-3,6,12,20-tetrol, 6,20-Di-O-beta-D-glucopyranoside CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C42H72O14 CH$EXACT_MASS: 800.49221 CH$SMILES: C(C6)(C32C)([H])C(C(C)(C4(C(O)6)[H])CCC(C(OC(C(O)5)OC(CO)C(C5O)O)(C)CCC=C(C)C)([H])4)(CC(C2(C(C(CC3)O)(C)C)[H])OC([H])(O1)C(C(O)C(O)C(CO)1)O)C CH$IUPAC: InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1 CH$LINK: CAS 22427-39-0 CH$LINK: NIKKAJI J15.784H CH$LINK: PUBCHEM CID:441923
AC$INSTRUMENT: Shimadzu LC20A-IT-TOFMS AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV 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 780.501 sec AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M+Na]+
PK$SPLASH: splash10-00di-0000903000-fec19afa4e4b7139791f PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 405.3495 5391663 419 406.3529 1548330 120 423.3587 12848254 999 424.3618 4206132 327 425.3684 1146853 89 441.3689 5179830 403 442.3690 1678161 130 603.4188 5015882 390 604.4287 1851991 144 621.4323 3817743 297 622.4380 1079936 84 823.4819 714297 56 //