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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)

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
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 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
AC$CHROMATOGRAPHY: SOLVENT 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
//

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