ACCESSION: MSBNK-BS-BS003018
RECORD_TITLE: 6-Hydroxyflavone; LC-ESI-QTOF; MS2; CE:26 eV; [M-H]-
DATE: 2017.12.01 (Created 2013.07.01)
AUTHORS: Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA

CH$NAME: 6-Hydroxyflavone
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C₁₅H₁₀O₃
CH$EXACT_MASS: 238.0630
CH$SMILES: C1(=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(O2)C(=C(C(=C3[H])O[H])[H])[H])[H])[H])[H])[H]
CH$IUPAC: InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H
CH$LINK: CAS 6665-83-4
CH$LINK: COMPTOX DTXSID8022327
CH$LINK: INCHIKEY GPZYYYGYCRFPBU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:72279

AC$INSTRUMENT: Bruker impact HD
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 26 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.01
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-3000
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 746.028 sec

MS$FOCUSED_ION: PRECURSOR_M/Z 237.056
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-052o-0960000000-ed74c8694ce764b239aa
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  101.0389 13 13
  107.0151 6 6
  108.0186 6 6
  115.0532 3 3
  117.0346 4 4
  123.0021 4 4
  127.0540 35 35
  128.0569 6 6
  132.0214 3 3
  135.0080 12 12
  136.0111 2 2
  139.0530 4 4
  151.0549 5 5
  152.0615 23 23
  153.0700 66 66
  154.0768 4 4
  155.0488 7 7
  155.7707 2 2
  160.0152 16 16
  164.0552 3 3
  165.0699 110 110
  166.0735 24 24
  167.0502 15 15
  169.0687 6 6
  171.0795 11 11
  179.0501 7 7
  180.0573 134 134
  180.6686 3 3
  181.0651 181 181
  182.0691 16 16
  183.0422 8 8
  183.0759 4 4
  193.0658 999 999
  194.0694 129 129
  194.6084 2 2
  195.0433 25 25
  195.0744 8 8
  197.0619 13 13
  199.0757 32 32
  200.0777 8 8
  207.0424 14 14
  208.0527 341 341
  209.0142 3 3
  209.0594 253 253
  209.5862 3 3
  210.0631 45 45
  211.0379 3 3
  211.0657 7 7
  225.0524 3 3
  226.0627 4 4
  235.0381 135 135
  236.0452 91 91
  237.0547 436 436
  238.0594 55 55
  239.0653 10 10
//