MassBank Record: TY000233



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

ACCESSION: TY000233
RECORD_TITLE: Hispidulin acetate; 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$NAME: Hispidulin acetate CH$NAME: 5,7-Bis(acetyloxy)-2-[4-(acetyloxy)phenyl]-6-methoxy-4H-1-benzopyran-4-one CH$NAME: 4',5,7-Trihydroxy-6-methoxy-flavone triacetate CH$NAME: Dinatin triacetate CH$NAME: Hispidulin triacetate CH$COMPOUND_CLASS: Natural Product; Flavonoid CH$FORMULA: C22H18O9 CH$EXACT_MASS: 426.09508 CH$SMILES: CC(=O)Oc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(OC(C)=O)c(OC)c(OC(C)=O)1 CH$IUPAC: InChI=1S/C22H18O9/c1-11(23)28-15-7-5-14(6-8-15)17-9-16(26)20-18(31-17)10-19(29-12(2)24)21(27-4)22(20)30-13(3)25/h5-10H,1-4H3 CH$LINK: CAS 1178-23-0
AC$INSTRUMENT: LCMS-IT-TOF AC$INSTRUMENT_TYPE: LC-ESI-ITTOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV AC$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$CHROMATOGRAPHY: RETENTION_TIME 21.795000 min AC$CHROMATOGRAPHY: SOLVENT (A)5 mM ammonium acetate, (B)CH3CN
MS$FOCUSED_ION: BASE_PEAK 385.091400
PK$SPLASH: splash10-002r-0009500000-600ed1a8ae4f37c13c8d PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 286.045300 8601014.000000 91 287.037600 1130903.000000 12 288.047900 1110335.000000 12 301.076300 7059057.000000 75 302.060900 2313814.000000 25 318.135600 369491.000000 4 327.093400 364969.000000 4 343.082300 15760840.000000 167 343.402800 621191.000000 7 344.079800 5022547.000000 53 346.079200 1204046.000000 13 385.091400 94220890.000000 999 385.261100 1453778.000000 15 385.449800 2156942.000000 23 385.695100 1380192.000000 15 385.959300 890285.000000 9 386.091500 28192945.000000 299 387.092900 2833846.000000 30 388.095600 468114.000000 5 427.099800 71948367.000000 763 427.298500 1705336.000000 18 427.477300 1755570.000000 19 427.735600 1019407.000000 11 428.093400 16652048.000000 177 428.491200 917823.000000 10 429.108000 2039719.000000 22 449.062100 786768.000000 8 465.065800 1150692.000000 12 771.192500 526078.000000 6 853.189600 6443114.000000 68 854.200400 1645421.000000 17 855.211800 1162430.000000 12 875.195900 3345687.000000 35 876.162700 1149734.000000 12 891.131300 1297580.000000 14 938.003900 933267.000000 10 1028.530800 933267.000000 10 1103.603100 674492.000000 7 1210.162600 786768.000000 8 1301.620600 670928.000000 7 1454.310500 835601.000000 9 1784.438800 571347.000000 6 //