ACCESSION: MSBNK-BS-BS003499
RECORD_TITLE: 5,7-Dihydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-
DATE: 2017.12.01 (Created 2013.11.23)
AUTHORS: Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA

CH$NAME: 5,7-Dihydroxy-2'-methoxyflavone
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C₁₆H₁₂O₅
CH$EXACT_MASS: 284.0685
CH$SMILES: C1(=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3OC)O)O
CH$IUPAC: InChI=1S/C16H12O5/c1-20-13-5-3-2-4-10(13)14-8-12(19)16-11(18)6-9(17)7-15(16)21-14/h2-8,17-18H,1H3
CH$LINK: CAS 10458-35-2
CH$LINK: INCHIKEY SWYVZKGICYEZDR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5378210

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 0.014
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8827-1505.23
AC$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 871.2 sec

MS$FOCUSED_ION: PRECURSOR_M/Z 283.0613
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-014i-0090000000-98dac3d8e56649f21315
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  122.0009 102 102
  123.0047 7 7
  133.0298 5 5
  135.0082 13 13
  148.0163 10 10
  149.9956 28 28
  151.0005 4 4
  171.0472 5 5
  172.0515 5 5
  185.0236 4 4
  195.0484 5 5
  196.0536 89 89
  197.0572 16 16
  199.0427 4 4
  211.0409 14 14
  212.0472 7 7
  223.0387 10 10
  224.0490 18 18
  225.0175 4 4
  227.0347 9 9
  239.0360 74 74
  240.0437 625 625
  241.0466 81 81
  242.0504 10 10
  249.0217 7 7
  250.0264 4 4
  251.0359 13 13
  267.0304 459 459
  268.0382 999 999
  269.0411 117 117
  270.0449 15 15
  283.0613 231 231
  284.0640 34 34
  285.0665 4 4
//