ACCESSION: MSBNK-RIKEN-PR040057
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 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$FOCUSED_ION: FULL_SCAN_FRAGMENT_ION_PEAK 315.1
MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE MassLynx 4.1

PK$SPLASH: splash10-01b9-2920000000-f3337cb735cea30c3942
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  63.0080 41 29
  65.0525 264 188
  65.9114 32 22
  83.0794 78 55
  89.0374 214 153
  89.8712 29 20
  91.0408 122 87
  91.9987 28 20
  93.0664 308 220
  93.9713 82 58
  94.9987 43 30
  96.1479 32 22
  97.0765 598 427
  97.8732 45 32
  107.0552 151 107
  108.0179 90 64
  109.0633 131 93
  120.2319 59 42
  121.0687 1379 986
  121.9558 256 183
  122.8390 108 77
  123.9694 72 51
  124.9605 30 21
  133.0544 31 22
  134.9436 36 25
  136.0885 68 48
  136.9729 46 32
  137.9267 29 20
  139.0793 88 62
  140.0579 31 22
  146.9823 49 35
  148.0284 103 73
  149.0130 152 108
  150.0355 395 282
  151.0007 318 227
  151.9293 97 69
  159.1022 30 21
  161.0140 55 39
  163.0459 220 157
  164.0168 164 117
  165.0441 1397 999
  165.9108 200 143
  166.7597 57 40
  167.7895 31 22
  172.0599 45 32
  173.9722 50 35
  183.1020 60 42
  192.0386 80 57
  198.0274 33 23
  199.0224 53 37
  200.0252 61 43
  201.0277 31 22
  202.0146 36 25
  211.0526 57 40
  215.0205 49 35
  216.0411 83 59
  226.0647 51 36
  227.0365 126 90
  228.0059 71 50
  228.9698 44 31
  242.0613 46 32
  243.0786 154 110
  244.0586 118 84
  244.8912 31 22
  253.9672 31 22
  255.0499 147 105
  256.0590 39 27
  259.0492 44 31
  271.0444 192 137
  272.0241 83 59
  283.0190 72 51
  299.0321 50 35
  300.0381 138 98
  300.9364 29 20
//