MassBank Record: TY000020



 Ginsenoside Rg1; LC-ESI-ITTOF; MS; [(M+CH3COOH)-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000020
RECORD_TITLE: Ginsenoside Rg1; LC-ESI-ITTOF; MS; [(M+CH3COOH)-H]-
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$COMPOUND_CLASS: Natural Product; Saponin CH$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 NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 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 780.699 sec AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [(M+CH3COOH)-H]-
PK$SPLASH: splash10-08fr-0000100094-c1e8067d80b5eb905070 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 459.2580 643192 159 459.7573 288225 71 799.4809 740746 183 800.4883 313535 77 845.4875 276871 68 859.5063 4046478 999 860.5069 2103708 519 861.5111 544178 134 913.4766 2104621 520 914.4766 1118419 276 915.4850 340705 84 //