ACCESSION: MSBNK-RIKEN_ReSpect-PT209290
RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, 5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; 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$NAME: myricetin-3-O-rhamnoside
CH$NAME: Myricetin 3-O-alpha-L-rhamnopyranoside
CH$NAME: Myricetin-3-Rhamnoside
CH$NAME: Myricetrin
CH$NAME: 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one
CH$NAME: 5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CH$NAME: Myrc-3-Rha
CH$NAME: Myricitrin
CH$NAME: Myricitroside
CH$NAME: Myricitrine
CH$NAME: Myricetol 3-rhamnoside
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavonol CLASS3 Myricetin glycoside
CH$FORMULA: C₂₁H₂₀O₁₂
CH$EXACT_MASS: 464.379
CH$SMILES: CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O
CH$IUPAC: InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3
CH$LINK: CAS 17912-87-7
CH$LINK: INCHIKEY DCYOADKBABEMIQ-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 NEGATIVE
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 463.08765

PK$SPLASH: splash10-02t9-0189600000-d188fa9c829aebcd6edd
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  151.0036 359.2 94
  178.9983 330.6 86
  214.0278 368.7 96
  242.0228 302.7 79
  243.031 299.3 78
  259.0255 411.5 107
  270.0187 339.9 88
  271.0258 1885.0 491
  272.0313 202.2 53
  287.0208 1166.0 304
  316.0228 3837.0 999
  317.0315 1218.0 317
  463.0876 3405.0 887
  464.096 498.5 130
//