MassBank Record: TUE00111



 Benzophenone-1; LC-ESI-QTOF; MS2; CE: 10.0V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TUE00111
RECORD_TITLE: Benzophenone-1; LC-ESI-QTOF; MS2; CE: 10.0V; [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$NAME: Benzophenone-1 CH$NAME: 2,4-dihydroxybenzophenone CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H10O3 CH$EXACT_MASS: 214.06300 CH$SMILES: c1ccc(cc1)C(=O)c2ccc(cc2O)O CH$IUPAC: InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H CH$LINK: INCHIKEY ZXDDPOHVAMWLBH-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 8254
AC$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 10.0V 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 215.07028 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: splash10-014r-0790000000-cadee31272d13ad51026 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 57.0699 693 14 77.0382 364 7 81.0334 797 16 105.0335 7624 153 137.0233 31003 623 155.9738 467 9 173.9847 2735 55 215.0706 49738 999 //