ACCESSION: MSBNK-RIKEN_ReSpect-PT104600
RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one, Afzelin, Kaem-3-Rha; LC-ESI-QTOF; MS2
DATE: 2008.09.29
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Kaempferol-3-O-alpha-L-rhamnoside
CH$NAME: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CH$NAME: Afzelin
CH$NAME: Kaem-3-Rha
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavonol CLASS3 Kaempferol glycoside
CH$FORMULA: C₂₁H₂₀O₁₀
CH$EXACT_MASS: 432.381
CH$SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
CH$IUPAC: InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3
CH$LINK: CAS 482-39-3
CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 433.11346

PK$SPLASH: splash10-000i-3290000000-7d615fd1dba1bd8b9e3b
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  57.036 41.92 6
  68.9985 50.82 7
  71.0507 1349.0 189
  73.0298 37.13 5
  75.0456 39.62 6
  83.049 37.57 5
  85.0287 1769.0 248
  87.0445 96.7 14
  111.0072 55.41 8
  115.0387 336.7 47
  121.0281 228.8 32
  129.0539 638.9 90
  133.0264 42.24 6
  137.0229 72.7 10
  147.0593 115.8 16
  153.0173 388.0 54
  157.0648 59.93 8
  165.0172 208.2 29
  185.0594 48.57 7
  213.0533 131.1 18
  231.0639 51.96 7
  241.0486 68.01 10
  258.0519 98.09 14
  286.1262 48.34 7
  286.9723 43.73 6
  287.0511 7123.0 999
  288.0575 223.7 31
  433.1135 69.72 10
//