ACCESSION: MSBNK-Washington_State_Univ-BML01264
RECORD_TITLE: 6-Methylflavone; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
DATE: 2016.01.19 (Created 2012.10.26)
AUTHORS: Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University
LICENSE: CC BY-SA
COMMENT: relative retention time with respect to 9-anthracene Carboxylic Acid is 1.302

CH$NAME: 6-Methylflavone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂O₂
CH$EXACT_MASS: 236.08373
CH$SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3
CH$IUPAC: InChI=1S/C16H12O2/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3
CH$LINK: CAS 29976-75-6
CH$LINK: CHEMSPIDER 600396
CH$LINK: PUBCHEM CID:689013
CH$LINK: INCHIKEY NOQJBXPAMJLUSS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40351008

AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 ev
AC$MASS_SPECTROMETRY: COLLISION_GAS N2
AC$MASS_SPECTROMETRY: SCANNING m/z 100-1000
AC$CHROMATOGRAPHY: COLUMN_NAME Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 60 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.6 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 9.541
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 237
MS$FOCUSED_ION: PRECURSOR_M/Z 237.0910
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0190000000-b5e04314551f1643d527
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  102.0449 21 4
  103.0533 165 31
  105.0324 63 12
  107.0467 29 5
  129.0346 162 30
  135.044 449 84
  165.0729 29 5
  166.0735 58 11
  178.0744 106 20
  181.1008 35 7
  191.084 21 4
  194.0739 36 7
  237.0904 5327 999
//