ACCESSION: MSBNK-BS-BS003419
RECORD_TITLE: 7-Hydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.012
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$FOCUSED_ION: PRECURSOR_M/Z 267.0611
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-0udi-0190000000-dc7d5c4f1b0396ecafc1
PK$NUM_PEAK: 212
PK$PEAK: m/z int. rel.int.
  116.0270 1 1
  117.0344 29 29
  118.0365 2 2
  131.0491 7 7
  132.0205 38 38
  133.0283 26 26
  134.0314 2 2
  135.0075 7 7
  147.0412 1 1
  152.0602 2 2
  154.0397 9 9
  167.0467 3 3
  168.0550 2 2
  179.0467 11 11
  180.0546 56 56
  181.0580 5 5
  183.0414 5 5
  195.0412 32 32
  196.0487 41 41
  197.0531 4 4
  207.0410 10 10
  208.0486 67 67
  209.0518 9 9
  211.0360 16 16
  212.0380 1 1
  213.0488 1 1
  222.0260 2 2
  223.0354 111 111
  223.0698 1 1
  224.0437 441 441
  225.0466 50 50
  226.0481 3 3
  235.0358 5 5
  250.0227 5 5
  251.0309 999 999
  252.0372 399 399
  253.0406 45 45
  254.0440 3 3
  267.0611 70 70
  268.0651 11 11
  839.1794 1 1
  859.4079 1 1
  859.9354 1 1
  871.2224 1 1
  881.2956 1 1
  901.7333 1 1
  925.3580 1 1
  930.3935 1 1
  934.4387 1 1
  942.5375 1 1
  947.0218 1 1
  950.9128 1 1
  955.9245 1 1
  957.4324 1 1
  965.6786 1 1
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  975.1443 1 1
  980.4233 1 1
  996.8054 1 1
  1001.1179 1 1
  1004.2946 1 1
  1005.1982 1 1
  1014.0180 1 1
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  1054.9706 1 1
  1063.6102 1 1
  1063.9460 1 1
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  1500.4777 1 1
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  1504.8405 1 1
//