ACCESSION: MSBNK-BS-BS003497
RECORD_TITLE: 5,7-Dihydroxy-2'-methoxyflavone; LC-ESI-QTOF; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.017
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$FOCUSED_ION: PRECURSOR_M/Z 283.06
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-014i-0490000000-e49d7e7a740bc8402a85
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  117.0344 67 67
  122.0011 503 503
  133.0293 85 85
  149.9960 230 230
  157.0292 51 51
  195.0449 84 84
  196.0526 224 224
  211.0392 91 91
  223.0409 170 170
  239.0351 420 420
  240.0431 437 437
  241.0487 108 108
  251.0364 59 59
  267.0305 999 999
  268.0370 360 360
  269.0403 86 86
//