MassBank Record: TUE00117



 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: TUE00117
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$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 213.05572 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: splash10-0006-9000000000-e8245ce018ab5121c5da PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 41.0026 48735 342 49.0078 13830 97 51.0234 1505 11 63.0237 4156 29 65.0032 37246 262 67.0185 3220 23 77.0395 4248 30 91.0190 142225 999 101.0394 2001 14 107.0137 2698 19 135.0085 6783 48 143.0501 1979 14 //