ACCESSION: MSBNK-BS-BS003422
RECORD_TITLE: 7-Hydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-
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$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.0094
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$FOCUSED_ION: PRECURSOR_M/Z 267.0609
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-0uk9-0590000000-f2228554aaa348555ac5
PK$NUM_PEAK: 215
PK$PEAK: m/z int. rel.int.
  108.0201 2 2
  116.0261 16 16
  117.0345 315 315
  118.0374 18 18
  130.0420 2 2
  131.0482 6 6
  132.0206 84 84
  133.0283 219 219
  134.0311 15 15
  135.0074 33 33
  139.0531 2 2
  144.0182 2 2
  151.0528 4 4
  152.0609 5 5
  153.0173 3 3
  154.0402 25 25
  155.0466 3 3
  157.0271 5 5
  167.0464 29 29
  168.0537 8 8
  169.0635 4 4
  175.0016 2 2
  179.0462 52 52
  180.0544 89 89
  181.0244 2 2
  181.0580 11 11
  182.0338 3 3
  183.0405 12 12
  195.0411 180 180
  196.0475 54 54
  197.0534 11 11
  207.0402 70 70
  208.0479 44 44
  209.0505 4 4
  211.0350 21 21
  212.0410 3 3
  213.0511 9 9
  222.0266 20 20
  223.0354 340 340
  224.0427 345 345
  225.0460 42 42
  226.0510 2 2
  235.0359 10 10
  250.0220 23 23
  251.0304 999 999
  252.0341 146 146
  253.0385 10 10
  267.0609 3 3
  606.9432 2 2
  668.6517 2 2
  715.0040 2 2
  744.4117 2 2
  776.9324 2 2
  789.7531 2 2
  805.5304 2 2
  814.1066 2 2
  815.6989 2 2
  828.1281 2 2
  833.6837 2 2
  847.3333 2 2
  853.4257 2 2
  877.8350 2 2
  888.0694 2 2
  888.8052 2 2
  897.8492 2 2
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  902.5063 2 2
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  921.1230 2 2
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  1504.0233 2 2
//