ACCESSION: MSBNK-BS-BS003421
RECORD_TITLE: 7-Hydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.016
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8489-1505.15
AC$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$FOCUSED_ION: PRECURSOR_M/Z 267.07
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-0159-0940000000-72152c8fb80364e0ac30
PK$NUM_PEAK: 223
PK$PEAK: m/z int. rel.int.
  116.0267 48 48
  117.0346 999 999
  118.0375 69 69
  125.0398 6 6
  129.0308 5 5
  131.0496 7 7
  132.0202 100 100
  133.0283 575 575
  133.0538 4 4
  134.0313 30 30
  135.0076 62 62
  139.0526 21 21
  141.0316 11 11
  142.0399 4 4
  151.0527 24 24
  152.0610 9 9
  153.0159 6 6
  153.0331 9 9
  154.0396 40 40
  155.0470 7 7
  157.0261 33 33
  163.0530 7 7
  166.0363 5 5
  167.0471 179 179
  168.0521 21 21
  169.0272 6 6
  169.0625 17 17
  170.0346 9 9
  178.0368 6 6
  179.0468 122 122
  180.0533 65 65
  181.0272 16 16
  181.0568 9 9
  182.0322 10 10
  183.0399 25 25
  184.0447 4 4
  194.0322 15 15
  195.0412 580 580
  196.0448 74 74
  197.0527 16 16
  198.0259 5 5
  207.0407 131 131
  208.0448 20 20
  210.0277 8 8
  211.0345 22 22
  212.0401 4 4
  213.0512 16 16
  222.0266 74 74
  223.0355 435 435
  224.0406 120 120
  225.0443 15 15
  235.0346 9 9
  250.0208 38 38
  251.0294 495 495
  252.0333 72 72
  253.0371 4 4
  517.9139 4 4
  570.3834 4 4
  584.4887 4 4
  621.6893 4 4
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  653.3762 4 4
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//