MassBank Record: MSBNK-RIKEN-PR040055
ACCESSION: MSBNK-RIKEN-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$LINK: PUBCHEM
CID:5281691
CH$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_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 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
//