MassBank Record: MPR00134

Eleutheroside B; LC-ESI-ITFT; MS2
Mass Spectrum
Chemical Structure
ACCESSION: MPR00134
RECORD_TITLE: Eleutheroside B; LC-ESI-ITFT; MS2
DATE: 2017.02.06 (Created 2017.02.31)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
CH$NAME: Eleutheroside B
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C17H24O9
CH$EXACT_MASS: 372.14203
CH$SMILES: OCC([H])=C([H])c(c1)cc(OC)c(OC(O2)C(O)C(O)C(O)C(CO)2)c(OC)1
CH$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: KEGG C01533
CH$LINK: NIKKAJI J246.058K
AC$INSTRUMENT: LTQ Orbitrap Elite, ThermoFisher Scientific
AC$INSTRUMENT_TYPE: LC-ESI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35V
AC$MASS_SPECTROMETRY: COLLISION_GAS He
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 270 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 155 to 2000
AC$CHROMATOGRAPHY: COLUMN_NAME Imtakt Cadenza CD-C18 (2 x 150 mm x 3um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT B = 2% to 2 % (2 min) to 50 % (13min.) to 98 % (15 min) to 98 % (18 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 mL/min
AC$CHROMATOGRAPHY: SOLVENT A:10mM ammonium formate/H2O
AC$CHROMATOGRAPHY: SOLVENT B:0.1 % AcOH/CH3CN
MS$FOCUSED_ION: PRECURSOR_M/Z 390.18
MS$FOCUSED_ION: PRECURSOR_TYPE [M+NH4]+
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  114.998 972.048 97
  161.041 2179.596 218
  180.032 169.341 17
  193.040 10000.000 999
  211.084 178.864 18
//