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MassBank Record: PR040060

Rhamnetin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PR040060
RECORD_TITLE: Rhamnetin; LC-ESI-QTOF; MS2; CE:Ramp 5-60 eV; [M+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$LINK: PUBCHEM CID:5281691 SID:12362
CH$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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 eV
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID
AC$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$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 317.1
MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MassLynx 4.1

PK$SPLASH: splash10-014i-0329000000-d17c664ecbfc53a03a30
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  95.0437 360 14
  109.0255 343 13
  121.0264 373 14
  122.0346 282 11
  123.0060 380 15
  123.0420 2433 96
  124.0134 601 23
  134.0355 664 26
  137.0226 1511 60
  144.0565 259 10
  151.0389 374 14
  155.0490 255 10
  167.0343 1724 68
  172.0522 267 10
  179.0345 730 29
  200.0476 600 23
  215.0716 615 24
  228.0430 688 27
  243.0672 1547 61
  256.0376 265 10
  257.0458 362 14
  271.0607 796 31
  273.0407 307 12
  274.0486 1749 69
  288.0642 283 11
  299.0562 357 14
  302.0435 974 38
  317.0661 25110 999
//

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