ACCESSION: MSBNK-Univ_Toyama-TY000249
RECORD_TITLE: Salvigenin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.10.26, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Salvigenin
CH$NAME: 5-Hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CH$NAME: 5-Hydroxy-4',6,7-trimethoxy-flavone
CH$NAME: 5-Hydroxy-4',6,7-trimethoxyflavone
CH$NAME: 7-O-Methylpectolinarigenin
CH$NAME: Psathyrotin
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C₁₈H₁₆O₆
CH$EXACT_MASS: 328.09469
CH$SMILES: COc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(OC)1
CH$IUPAC: InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3
CH$LINK: CAS 19103-54-9
CH$LINK: INCHIKEY QCDYOIZVELGOLZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90172629

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 23.393333 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: BASE_PEAK 329.099200

PK$SPLASH: splash10-004i-0009000000-e87d5b316dfe6ad2f107
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  268.070800 19903.000000 16
  285.073400 8492.000000 7
  296.064600 34295.000000 28
  299.048400 6825.000000 6
  313.085800 18061.000000 15
  314.089800 44626.000000 37
  315.078400 6825.000000 6
  329.099200 1211312.000000 999
  329.256100 16467.000000 14
  329.465400 18823.000000 16
  329.639900 10018.000000 8
  330.111100 238178.000000 196
  330.408000 5617.000000 5
  331.107100 35851.000000 30
  351.089700 49549.000000 41
  352.080800 6825.000000 6
  367.040600 6825.000000 6
//