MassBank Record: TUE00123



 Benzophenone-2; LC-ESI-QTOF; MS2; CE: 40.0V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TUE00123
RECORD_TITLE: Benzophenone-2; LC-ESI-QTOF; MS2; CE: 40.0V; [M+H]+
DATE: 2015.11.27
AUTHORS: Lege S, Zwiener C, Environmental Analytical Chemistry (EAC), University of Tuebingen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2015, Environmental Analytical Chemistry (EAC), University of Tuebingen, Germany
COMMENT: CONFIDENCE reference standard

CH$NAME: Benzophenone-2 CH$NAME: 2,2',4,4'-tetrahydroxybenzophenone CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H10O5 CH$EXACT_MASS: 246.05282 CH$SMILES: c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O CH$IUPAC: InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H CH$LINK: INCHIKEY WXNRYSGJLQFHBR-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 8253
AC$INSTRUMENT: 6550 Q-TOF (Agilent Technologies) AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.0V AC$MASS_SPECTROMETRY: RESOLUTION 12000 (m/z 120) - 26000 (m/z 1000) AC$CHROMATOGRAPHY: COLUMN_NAME Flow injection AC$CHROMATOGRAPHY: SOLVENT A AcN:H2O (50:50) + 0.1 % Acetic acid + 1mM Ammoniumacetate
MS$FOCUSED_ION: PRECURSOR_M/Z 247.06010 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REMOVE_PEAK abs.int. < 50 MS$DATA_PROCESSING: REMOVE_PEAK rel.int. < 5
PK$SPLASH: splash10-001r-9500000000-b0627559416a799754da PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 42.0333 1331 128 43.0174 89 9 53.0386 2606 250 66.0336 141 14 68.9970 1781 171 69.0332 63 6 81.0336 10422 999 81.0714 110 11 109.0282 1335 128 124.0868 396 38 127.0544 66 6 137.0233 8334 799 //