ACCESSION: MSBNK-RIKEN-PR040058
RECORD_TITLE: Rhamnetin; LC-ESI-QTOF; MS2; CE:30 eV; [2M-H]-
DATE: 2016.01.19 (Created 2007.12.14, modified 2011.05.06)
AUTHORS: Matsuda F, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 3,3',4',5-tetrahydroxy-7-methoxyflavone
CH$NAME: Rhamnetin
CH$NAME: Ramn
CH$NAME: 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-chromen-4-one
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₆H₁₂O₇
CH$EXACT_MASS: 316.05830
CH$SMILES: COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(O)c2
CH$IUPAC: InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
CH$LINK: CAS 90-19-7
CH$LINK: KEGG C10176
CH$LINK: KNAPSACK C00004634
CH$LINK: PUBCHEM CID:5281691
CH$LINK: INCHIKEY JGUZGNYPMHHYRK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40237979

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 631.1
MS$FOCUSED_ION: ION_TYPE [2M-H]-
MS$DATA_PROCESSING: WHOLE MassLynx 4.1

PK$SPLASH: splash10-014i-0209000000-ef88916c7819d4c30ffc
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  88.7135 127 11
  121.0597 386 34
  165.0456 1804 163
  165.9049 281 25
  193.0490 770 69
  193.9379 129 11
  258.8745 188 17
  262.4465 117 10
  287.0744 239 21
  300.0518 493 44
  311.8842 144 13
  312.7132 257 23
  314.0013 253 22
  315.0631 11040 999
  315.9709 1621 146
  316.8433 494 44
  317.7612 253 22
  318.6819 166 15
//