ACCESSION: MSBNK-RIKEN_ReSpect-PT208490
RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QTOF; MS2
DATE: 2008.07.28
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$NAME: Cirantin
CH$NAME: Hesperidoside
CH$NAME: Hesp-7-Glc-6pp-Rha
CH$NAME: Hesperetin 7-rhamnoglucoside
CH$NAME: hesperetin-7-O-rutinoside
CH$NAME: Hesperetin-1-rhamnosido-D-Glucose
CH$NAME: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychroman-4-one
CH$NAME: Hesperidin
CH$NAME: Bioflavonoid
CH$NAME: Citrin
CH$NAME: Vitamin P
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavanone CLASS3 Hesperetin glycoside
CH$FORMULA: C₂₈H₃₄O₁₅
CH$EXACT_MASS: 610.565
CH$SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
CH$IUPAC: InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3
CH$LINK: CAS 520-26-3
CH$LINK: INCHIKEY QUQPHWDTPGMPEX-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 609.18196

PK$SPLASH: splash10-0udi-0119003000-80c5f918f82d46fc1131
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  151.0051 432.1 67
  164.0128 727.9 113
  242.0609 422.3 66
  286.0518 575.7 90
  301.0735 6410.0 999
  609.1819 2429.0 379
//