ACCESSION: MSBNK-Univ_Toyama-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$LINK: CAS 1178-23-0
CH$LINK: INCHIKEY HIOZFEXHRPPNDN-UHFFFAOYSA-N

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$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT 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
//