MassBank Record: MPR00133

Mass Spectrum

Chemical Structure

ACCESSION: MPR00133
RECORD_TITLE: Eleutheroside B; LC-ESI-ITFT; MS
DATE: 2017.02.06 (Created 2017.02.30)
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 MS
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$CHROMATOGRAPHY: SOLVENT B:0.1 % AcOH/CH3CN
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  115.054 348.713 35
  115.0542 649.444 65
  115.055 924.021 92
  115.0552 811.660 81
  115.0553 500.098 50
  115.0554 216.342 22
  133.065 179.216 18
  133.0652 309.463 31
  133.0653 407.513 41
  133.066 324.958 32
  133.0662 192.612 19
  153.127 163.639 16
  153.128 269.285 27
  153.1282 317.245 32
  153.129 228.096 23
  161.059 160.331 16
  161.0592 525.325 52
  161.060 999.611 100
  161.0602 1459.315 146
  161.061 1333.658 133
  161.0612 830.170 83
  161.062 368.158 37
  162.064 151.078 15
  162.0642 134.296 13
  180.087 183.086 18
  180.088 189.038 19
  193.083 224.347 22
  193.084 208.450 21
  193.0842 326.797 33
  193.085 1086.759 109
  193.086 3391.236 339
  193.0862 5946.763 594
  193.087 7977.761 797
  193.0872 6510.129 650
  193.088 3893.947 389
  193.0882 1484.544 148
  193.089 422.340 42
  194.089 365.283 36
  194.0892 661.719 66
  194.090 920.288 92
  194.091 785.378 78
  194.0912 476.945 48
  194.092 194.134 19
  211.096 264.751 26
  211.097 485.385 48
  211.0972 683.697 68
  211.098 593.299 59
  211.099 362.437 36
  211.0992 150.810 15
  373.151 148.035 15
  390.168 213.976 21
  390.169 264.086 26
  390.171 545.868 55
  390.173 1633.683 163
  390.174 4632.871 463
  390.176 7816.362 781
  390.178 10000.000 999
  390.179 7705.245 770
  390.181 4503.172 450
  390.183 1470.642 147
  390.184 341.880 34
  391.175 171.133 17
  391.177 516.789 52
  391.178 1109.639 111
  391.180 1748.640 175
  391.182 1872.287 187
  391.183 1259.281 126
  391.185 647.504 65
  391.187 177.051 18
  392.181 224.398 22
  392.183 298.992 30
  392.185 251.552 25
  392.186 153.998 15
  395.129 149.548 15
  395.130 298.540 30
  395.132 454.168 45
  395.134 443.713 44
  395.136 283.088 28
  395.137 133.872 13
  418.206 254.469 25
  418.207 431.530 43
  418.209 558.084 56
  418.211 434.250 43
  418.213 254.263 25
  578.192 188.954 19
  578.195 263.171 26
  578.198 225.667 23
  578.201 137.934 14
  578.698 146.384 15
  764.266 190.349 19
  764.271 177.814 18
  764.768 148.565 15
  764.773 136.822 14
  767.266 173.774 17
  767.271 316.734 32
  767.275 444.199 44
  767.280 384.614 38
  767.284 236.273 24
  768.276 147.647 15
  768.280 174.887 17
//