MassBank Record: TY000148



 Morin; LC-ESI-ITTOF; MS; [M-H]- 
Mass Spectrum
Chemical Structure


ACCESSION: TY000148
RECORD_TITLE: Morin; LC-ESI-ITTOF; MS; [M-H]-
DATE: 2011.05.06 (Created 2010.10.14)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Morin CH$NAME: 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one CH$NAME: 2',3,4',5,7-Pentahydroxy-flavone CH$NAME: 2',3,4',5,7-Pentahydroxyflavone CH$NAME: 2',4',3,5,7-Pentahydroxyflavone CH$NAME: 2'-Hydroxypelargidenolon 1522 CH$NAME: 3,5,7,2',4'-Pentahydroxyflavone CH$NAME: 3,5,7,2',4'-Pentahydroxyflavonol CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C15H10O7 CH$EXACT_MASS: 302.04265 CH$SMILES: Oc(c3)cc(O)c(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1 CH$IUPAC: InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H CH$LINK: CAS 480-16-0
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 10.155783 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 301.037200
PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 229.051800 95600.000000 7 257.040200 82521.000000 6 271.013900 172390.000000 12 273.042600 121244.000000 9 299.023100 231509.000000 16 300.021000 53662.000000 4 301.037200 14197896.000000 999 301.203900 217220.000000 15 301.337400 327684.000000 23 301.570900 166178.000000 12 302.038400 2537213.000000 179 303.041300 404959.000000 28 315.017800 108166.000000 8 317.033600 233955.000000 16 415.025400 565653.000000 40 416.044000 95600.000000 7 601.048000 81030.000000 6 603.075800 1551860.000000 109 604.090900 649480.000000 46 605.083300 108166.000000 8 619.062200 221646.000000 16 625.054000 120009.000000 8 //