ACCESSION: MSBNK-Univ_Toyama-TY000098
RECORD_TITLE: Eleutheroside B; LC-ESI-ITTOF; MS; [M+CH3COOH-H]-
DATE: 2016.01.19 (Created 2009.05.19, modified 2011.05.06)
AUTHORS: Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Eleutheroside B
CH$NAME: beta-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl
CH$NAME: Syringin
CH$NAME: beta-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl, (E)-
CH$NAME: beta-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propenyl]-2,6-dimethoxyphenyl
CH$NAME: Ilexanthin A
CH$NAME: Ligustrin
CH$NAME: Lilacin
CH$NAME: Magnolenin
CH$NAME: Methoxyconiferine
CH$NAME: NSC 287441
CH$NAME: Sinapyl alcohol 4-O-glucoside
CH$NAME: Siringin
CH$NAME: Syringoside
CH$COMPOUND_CLASS: Natural Product; Phenylpropanoid
CH$FORMULA: C₁₇H₂₄O₉
CH$EXACT_MASS: 372.14203
CH$SMILES: OCC=Cc(c1)cc(OC)c(OC(O2)C(O)C(O)C(O)C(CO)2)c(OC)1
CH$IUPAC: InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
CH$LINK: CAS 118-34-3
CH$LINK: NIKKAJI J246.058K
CH$LINK: PUBCHEM CID:5316860
CH$LINK: INCHIKEY QJVXKWHHAMZTBY-GCPOEHJPSA-N
CH$LINK: COMPTOX DTXSID2042438

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$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan
AC$MASS_SPECTROMETRY: SCANNING_RANGE 100-2000
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$CHROMATOGRAPHY: RETENTION_TIME 467.800 sec
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: ION_TYPE [M+CH3COOH-H]-

PK$SPLASH: splash10-001i-0021900000-fed0dc08ee71a292cbb0
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  209.0810 12916755 355
  371.1335 9484862 261
  431.1552 36299132 999
  432.1578 11185528 308
  433.1624 2504569 69
  743.2706 2229354 61
//