MassBank Record: TUE00113



 Benzophenone-1; 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: TUE00113
RECORD_TITLE: Benzophenone-1; 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$NAME: Benzophenone-1 CH$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 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 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: splash10-0040-9300000000-22c1c529f5d96991b24e PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 51.0227 1578 49 53.0384 9077 284 68.9970 4365 137 70.9576 1042 33 72.9370 1591 50 77.0385 20257 635 81.0336 31891 999 105.0334 3376 106 109.0282 3187 100 113.9631 666 21 114.9478 327 10 115.0537 665 21 137.0232 16325 511 //