MassBank Record: MPR00135

Mass Spectrum

Chemical Structure

ACCESSION: MPR00135
RECORD_TITLE: Eleutheroside B; LC-ESI-ITFT; MS2
DATE: 2017.02.06 (Created 2017.02.32)
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 395
MS$FOCUSED_ION: PRECURSOR_TYPE [M+Na]+
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  134.093 13.821 1
  135.111 5.087 1
  142.992 12.599 1
  153.034 3.183 1
  158.356 7.373 1
  160.788 9.089 1
  167.113 3.382 1
  171.174 6.620 1
  185.000 3408.720 341
  185.783 28.754 3
  201.996 9.596 1
  203.072 72.555 7
  215.161 7.776 1
  216.086 4.409 1
  216.996 48.285 5
  218.216 12.826 1
  230.088 5.085 1
  232.047 1522.112 152
  233.042 10000.000 999
  233.651 900.862 90
  235.285 10.399 1
  244.132 17.348 2
  245.084 11.393 1
  246.216 4.967 1
  256.090 7.386 1
  257.252 4.126 1
  266.030 4.875 1
  272.198 3.292 1
  275.958 8.760 1
  286.145 55.285 6
  293.259 4.051 1
  304.857 21.613 2
  316.008 17.667 2
  318.997 4.343 1
  321.201 34.160 3
  329.166 11.847 1
  332.765 5.190 1
  334.159 90.823 9
  335.088 160.855 16
  346.291 60.983 6
  347.123 10.938 1
  348.181 16.588 2
  348.985 4.187 1
  353.189 6.894 1
  354.117 3.564 1
  361.844 9.169 1
  363.163 154.799 15
  364.150 5314.926 531
  365.158 3496.727 349
  366.313 64.572 6
  377.185 131.915 13
  377.789 9.718 1
  379.543 4.802 1
  380.218 105.179 11
  395.883 8.030 1
//