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MassBank Record: PR040055

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: PR040055
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 NEGATIVE
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$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 315.1
MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE MassLynx 4.1

PK$SPLASH: splash10-014i-1819000000-3c8a4092f56e87be74de
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  65.0013 1129 38
  89.0024 1225 41
  91.0179 600 20
  93.0339 1557 52
  97.0287 2141 72
  109.0289 639 21
  121.0294 7891 265
  149.0245 834 28
  149.9957 1407 47
  151.0041 1050 35
  163.0042 821 27
  165.0194 17950 604
  193.0141 2316 78
  227.0351 594 20
  228.0430 617 20
  255.0298 625 21
  271.0246 718 24
  272.0322 611 20
  287.0564 989 33
  300.0279 4255 143
  315.0505 29660 999
  315.3221 676 22
  316.0538 1422 47
//

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