MassBank Record: NGA03351



 o-hydroxydibenzoylmethane; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03351
RECORD_TITLE: o-hydroxydibenzoylmethane; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant, Dibenzoylmethanes

CH$NAME: o-hydroxydibenzoylmethane CH$COMPOUND_CLASS: Benzopyranoids CH$FORMULA: C15H12O3 CH$EXACT_MASS: 240.26109000000002 CH$SMILES: O=C(CC(=O)c1ccccc1O)c1ccccc1 CH$IUPAC: InChI=1S/C15H12O3/c16-13-9-5-4-8-12(13)15(18)10-14(17)11-6-2-1-3-7-11/h1-9,16H,10H2 CH$LINK: CAS 1469-94-9 CH$LINK: PUBCHEM CID:66483 CH$LINK: INCHIKEY OABFIJGAEVKMJP-UHFFFAOYSA-N
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0910000000-103dc6076fd0018ee0ff PK$NUM_PEAK: 53 PK$PEAK: m/z int. rel.int. 104.3 1.67 1 104.4 4.05 4 104.5 8.61 8 104.6 15.18 15 104.7 23.58 23 104.8 33.9 33 104.9 45.07 45 105.0 54.39 54 105.1 59.17 59 105.2 57.64 57 105.3 48.67 48 105.4 33.07 33 105.5 15.63 15 105.6 2.91 2 120.2 0.9 0 120.3 2.64 2 120.4 7.34 7 120.5 16.21 16 120.6 29.22 29 120.7 46.01 45 120.8 65.83 65 120.9 85.06 84 121.0 97.57 97 121.1 100.0 99 121.2 93.87 93 121.3 80.4 80 121.4 58.45 58 121.5 31.03 30 121.6 7.91 7 121.7 0.0 0 146.5 0.73 0 146.6 1.94 1 146.7 3.82 3 146.8 5.91 5 146.9 7.49 7 147.0 7.99 7 147.1 7.4 7 147.2 6.15 6 147.3 4.57 4 147.4 2.8 2 240.4 0.93 0 240.5 2.16 2 240.6 3.84 3 240.7 6.02 6 240.8 9.28 9 240.9 13.59 13 241.0 17.46 17 241.1 19.26 19 241.2 18.94 18 241.3 17.02 17 241.4 13.19 13 241.5 7.55 7 241.6 2.23 2 //