MassBank Record: TY000237



 Kaempferitrin; LC-ESI-ITTOF; MS; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TY000237
RECORD_TITLE: Kaempferitrin; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2016.01.19 (Created 2010.10.15, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Kaempferitrin CH$NAME: 3,7-Bis[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CH$NAME: 3,4',5,7-Tetrahydroxyflavone 3,7-dirhamnoside CH$NAME: Kaempferol 3,7-bisrhamnoside CH$NAME: Kaempferol 3,7-di-O-rhamnoside CH$NAME: Kaempferol 3,7-di-O-alpha-L-rhamnopyranoside CH$NAME: Kaempferol 3,7-di-alpha-L-rhamnopyranoside CH$NAME: Kaempferol 3,7-di-alpha-L-rhamnoside CH$NAME: Kaempferol 3,7-dirhamnoside CH$NAME: Kaempferol 3-O-rhamnoside 7-O-rhamnoside CH$NAME: Kaempferol 3-O-alpha-L-rhamnopyranoside 7-O-alpha-L-rhamnopyranoside CH$NAME: Kaempferol-3,7-O-alpha-L-dirhamnoside CH$NAME: Lespedin CH$NAME: Lespenephryl CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C27H30O14 CH$EXACT_MASS: 578.16356 CH$SMILES: C(C1O)(C)OC(Oc(c5)cc(O2)c(c5O)C(C(OC(O4)C(C(C(C4C)O)O)O)=C(c(c3)ccc(O)c3)2)=O)C(C1O)O CH$IUPAC: InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1 CH$LINK: CAS 482-38-2
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 kV AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000) AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um) AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 11.164117 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 577.165900
PK$SPLASH: splash10-004i-0100091010-fc6d9405fdaf1e2173c2 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 430.097000 558208.000000 10 431.094100 1251443.000000 23 432.112300 361919.000000 7 576.865800 204374.000000 4 577.165900 54586771.000000 999 577.373700 719317.000000 13 577.581500 1148990.000000 21 577.881800 719105.000000 13 578.159000 15221977.000000 279 578.575000 396567.000000 7 579.176100 3811939.000000 70 580.171000 513985.000000 9 581.166700 302040.000000 6 613.123100 763629.000000 14 614.146700 567340.000000 10 637.172600 633355.000000 12 640.159700 3195199.000000 58 641.156900 1028929.000000 19 691.149800 5534884.000000 101 692.135500 1467360.000000 27 693.147100 258774.000000 5 866.249200 3955920.000000 72 866.758300 4322060.000000 79 867.239400 2202938.000000 40 867.748800 719317.000000 13 868.258400 372576.000000 7 1155.315500 4855231.000000 89 1155.838200 3408013.000000 62 1156.328300 3819121.000000 70 1156.851200 893087.000000 16 1157.308800 973269.000000 18 1444.403300 578954.000000 11 1444.878100 664704.000000 12 1445.426100 838687.000000 15 1445.864500 385981.000000 7 //