MassBank Record: MPR00186

Eleutheroside B; LC-ESI-ITFT; MS2
Mass Spectrum
Chemical Structure
ACCESSION: MPR00186
RECORD_TITLE: Eleutheroside B; LC-ESI-ITFT; MS2
DATE: 2017.02.08 (Created 2017.02.08)
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35V
AC$MASS_SPECTROMETRY: COLLISION_GAS He
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 270 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 100 to 2000
AC$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 371.14
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  165.895 72.123 7
  166.994 151.884 15
  181.120 354.388 35
  192.985 159.313 16
  194.051 407.551 41
  195.014 133.753 13
  206.821 126.941 13
  208.973 10000.000 999
  210.114 596.824 60
  229.150 118.962 12
  232.123 69.131 7
  245.015 197.403 20
  251.091 58.682 6
  271.090 159.456 16
  302.802 377.059 38
  311.117 145.138 14
  313.129 182.885 18
  325.093 62.672 6
  326.909 720.228 72
  327.945 72.485 7
  330.996 84.019 8
  343.279 126.594 13
  351.803 87.883 9
  353.077 256.455 26
  354.615 223.325 22
  356.120 122.483 12
  357.100 3939.128 394
//