MassBank Record: TY000011



 Ginsenoside Rb1; LC-ESI-ITTOF; MS; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000011
RECORD_TITLE: Ginsenoside Rb1; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2008.09.03, modified 2011.12.21)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Ginsenoside Rb1 CH$NAME: beta-D-Glucopyranoside, (3beta,12beta)-20-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl- CH$NAME: Dammarane, beta-D-glucopyranoside deriv CH$NAME: Arasaponin E1 CH$NAME: Gynosaponin C CH$NAME: Gypenoside III CH$NAME: NSC 310103 CH$NAME: Notoginsenoside Rb1 CH$NAME: Panaxoside Rb1 CH$NAME: Sanchinoside E1 CH$NAME: Sanchinoside Rb1 CH$NAME: Panax saponin E CH$NAME: Pseudoginsenoside D CH$NAME: EINECS 255-532-8 CH$NAME: GRb 1 CH$NAME: AIDS058057 CH$NAME: G0777_SIGMA CH$NAME: LS-71528 CH$COMPOUND_CLASS: Natural Product; Saponin CH$FORMULA: C54H92O23 CH$EXACT_MASS: 1108.60294 CH$SMILES: C(OC(O8)(C(C(C(O)C8CO)O)OC(O7)(C(O)C(C(C7CO)O)O)[H])[H])(C1(C)C)CCC(C)(C2([H])6)C([H])(CCC2(C)C(C3([H])C(O)C6)(C)CCC(C(C)(OC(C5O)OC(C(C5O)O)COC(O4)C(C(O)C(O)C(CO)4)O)CCC=C(C)C)([H])3)1 CH$IUPAC: InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,51-,52+,53+,54-/m0/s1 CH$LINK: CAS 41753-43-9 CH$LINK: CHEMSPIDER 8073937 CH$LINK: NIKKAJI J61.213H J1.843.540C CH$LINK: PUBCHEM CID:73148 CID:432524 CID:11968491
AC$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 953.099 sec AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-0zfr-0500090000-491fbc74842987e0b3b3 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 553.2934 15944118 999 553.7938 11535772 723 554.2940 3925640 246 554.7930 906491 57 583.3016 3288992 206 583.8081 1468433 92 613.3141 2032653 127 613.8195 1322786 83 1107.5962 6880135 431 1108.0976 6125444 384 1108.5970 5285688 331 1109.0966 2609604 164 1109.5939 1359591 85 1221.5935 1316896 83 //