ACCESSION: MSBNK-BS-BS003416
RECORD_TITLE: 7-Hydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS
DATE: 2017.12.01 (Created 2014.07.26)
AUTHORS: Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA

CH$NAME: 7-Hydroxy-2'-methoxyflavone
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C₁₆H₁₂O₄
CH$EXACT_MASS: 268.0736
CH$SMILES: O=C1C=2C(OC(=C1[H])C=3C(=C(C(=C(C3OC([H])([H])[H])[H])[H])[H])[H])=C(C(O[H])=C(C2[H])[H])[H]
CH$IUPAC: InChI=1S/C16H12O4/c1-19-14-5-3-2-4-12(14)16-9-13(18)11-7-6-10(17)8-15(11)20-16/h2-9,17H,1H3
CH$LINK: CAS 77298-65-8
CH$LINK: INCHIKEY PFEQKIBOPJQNBI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5391150

AC$INSTRUMENT: Bruker impact HD
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.019
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8486-1505.15
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 20/80 at 35 min; 5/95 at 35 min, 5/95 at 38 min; 95/5 at 38.1 min, 95/5 at 45 min
AC$CHROMATOGRAPHY: FLOW_RATE FLOW_RATE 560 uL / min
AC$CHROMATOGRAPHY: SOLVENT A water with 0.05% formic acid
AC$CHROMATOGRAPHY: SOLVENT B acetonitrile with 0.05 % formic acid
AC$CHROMATOGRAPHY: RETENTION_TIME 713.4 sec

MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-014i-0090000000-a6fdf66b8b1e69410065
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  224.0429 1 1
  251.0302 3 3
  252.0376 16 16
  253.0414 3 3
  267.0408 3 3
  267.0626 999 999
  267.0913 3 3
  267.5786 4 4
  268.0657 144 144
  269.0673 17 17
  270.0695 2 2
//