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MassBank Record: TY000019

Ginsenoside Rc; LC-ESI-ITTOF; MS; [M+Na]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: TY000019
RECORD_TITLE: Ginsenoside Rc; LC-ESI-ITTOF; MS; [M+Na]+
DATE: 2016.01.19 (Created 2008.09.03, 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$NAME: Panaxoside Rc
CH$NAME: G0902_SIGMA
CH$NAME: EINECS 234-253-5
CH$NAME: BRN 1677618
CH$NAME: SMP2_000126
CH$NAME: LS-71253
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$LINK: CHEMSPIDER 90374 4884723
CH$LINK: NIKKAJI J61.214F
CH$LINK: PUBCHEM CID:100018 CID:6325213 CID:11973216
CH$LINK: INCHIKEY JDCPEKQWFDWQLI-LUQKBWBOSA-N

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$MASS_SPECTROMETRY: CDL_TEMPERATURE 200.0C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 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$CHROMATOGRAPHY: RETENTION_TIME 974.101 sec
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: ION_TYPE [M+Na]+

PK$SPLASH: splash10-0a6r-0000900200-bc1252e62bcb4262edd6
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  407.3660 7372165 999
  408.3689 1958064 265
  409.3744 399451 54
  425.3756 6153604 834
  426.3810 1697820 230
  443.3860 1260027 171
  444.3895 440972 60
  569.4188 455740 62
  587.4301 1282325 174
  605.4378 1093362 148
  606.4433 487939 66
  749.4830 992694 135
  750.4871 487939 66
  767.4886 533657 72
  784.5193 1887805 256
  785.5201 994083 135
  899.5343 410802 56
  1101.5810 485046 66
//

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