ACCESSION: MSBNK-RIKEN-PR040059
RECORD_TITLE: Rhamnetin; LC-ESI-QTOF; MS2; CE:30 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 POSITIVE
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$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 317.1
MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE MassLynx 4.1

PK$SPLASH: splash10-00xr-0981000000-cea51d5c7aa4056dc4ef
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  93.0280 271 45
  95.0440 613 102
  109.0250 432 72
  121.0261 596 99
  122.0338 199 33
  123.0058 424 70
  123.0421 3511 585
  123.1002 445 74
  124.0133 1261 210
  124.0493 181 30
  125.0214 481 80
  134.0350 501 83
  135.0428 228 38
  137.0223 2427 404
  137.0837 300 50
  144.0565 283 47
  145.0283 226 37
  149.0233 212 35
  150.0310 424 70
  151.0387 955 159
  155.0491 457 76
  159.0808 223 37
  163.0395 409 68
  167.0342 4327 721
  167.1015 523 87
  169.0656 206 34
  172.0527 299 49
  179.0345 1238 206
  180.0414 180 30
  183.0447 442 73
  184.0521 315 52
  187.0762 549 91
  193.0506 225 37
  197.0602 231 38
  200.0475 1177 196
  201.0555 182 30
  215.0708 1613 268
  228.0424 1623 270
  233.0828 184 30
  242.0592 246 41
  243.0661 3285 547
  243.1469 292 48
  246.0536 183 30
  256.0376 797 132
  257.0456 904 150
  261.0764 210 35
  271.0611 1111 185
  273.0397 982 163
  274.0479 5994 999
  274.1338 493 82
  275.0520 216 36
  288.0639 391 65
  299.0563 369 61
  302.0431 1811 301
  317.0661 2174 362
//