MassBank Record: TY000098



 Eleutheroside B; LC-ESI-ITTOF; MS; [(M+CH3COOH)-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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 5316860
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$CHROMATOGRAPHY: RETENTION_TIME 467.800 AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (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 //