ACCESSION: MSBNK-BS-BS003590
RECORD_TITLE: 8-Hydroxy-5-methoxyflavanone; LC-ESI-QTOF; MS2; CE:20 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$NAME: 8-Hydroxy-5-methoxyflavanone
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C₁₆H₁₄O₄
CH$EXACT_MASS: 270.0892
CH$SMILES: C1=CC(OC)=C2C(=C1O)OC(CC2=O)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C16H14O4/c1-19-13-8-7-11(17)16-15(13)12(18)9-14(20-16)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3
CH$LINK: INCHIKEY QKKLESZITVHFQP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:133052632

AC$INSTRUMENT: Bruker impact HD
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.016
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8818-1505.22
AC$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 576 sec

MS$FOCUSED_ION: PRECURSOR_M/Z 269.0838
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-0udj-0490000000-a6a6794b2371f156eb32
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  149.9960 868 868
  150.9993 44 44
  152.0002 23 23
  209.0611 47 47
  210.0681 322 322
  211.0712 49 49
  225.0918 35 35
  226.0639 26 26
  237.0553 170 170
  238.0580 44 44
  239.0708 55 55
  253.0519 23 23
  254.0580 999 999
  255.0619 135 135
  269.0838 51 51
//