MassBank MassBank Search Contents Download

MassBank Record: MSBNK-RIKEN_ReSpect-PT108490

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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT108490
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 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 611.19756

PK$SPLASH: splash10-0udi-3719300000-f2635b73560ddfd8533f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  71.0507 274.1 172
  85.0299 404.4 253
  129.0564 179.0 112
  153.0198 557.5 349
  177.056 414.5 259
  179.0358 104.2 65
  195.0307 166.0 104
  219.0307 74.92 47
  245.0454 68.14 43
  263.0567 99.52 62
  303.0877 1596.0 999
  345.0984 103.5 65
  369.0991 64.81 41
  413.1249 111.0 69
  431.1354 119.6 75
  449.1454 273.4 171
  465.1396 184.1 115
  611.1976 99.48 62
//

Imprint Feedback
system version 2.2
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo