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MassBank Record: TY000012

Ginsenoside Rc; LC-ESI-ITTOF; MS; [M-H]-

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

ACCESSION: TY000012
RECORD_TITLE: Ginsenoside Rc; LC-ESI-ITTOF; MS; [M-H]-
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 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$CHROMATOGRAPHY: RETENTION_TIME 974.699 sec
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: ION_TYPE [M-H]-

PK$SPLASH: splash10-016r-7000090000-0381813aa53c180b05e8
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  538.7875 602142 161
  568.2976 3728306 999
  568.7988 2473533 663
  569.2987 1057399 283
  569.8035 208698 56
  598.3090 507133 136
  598.8047 475600 127
  1077.5853 2536931 680
  1078.0851 1916836 514
  1078.5901 1890370 507
  1079.0874 800138 214
  1079.5977 501856 134
  1191.5784 568885 152
  1192.5785 278427 75
//

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