MassBank Record: NGA03350



 o-hydroxydibenzoylmethane; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03350
RECORD_TITLE: o-hydroxydibenzoylmethane; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-00di-0900000000-03b271e3783e67789a49 PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 104.2 0.42 0 104.3 2.09 2 104.4 5.55 5 104.5 11.02 11 104.6 19.81 19 104.7 33.29 33 104.8 50.18 50 104.9 66.04 65 105.0 76.05 75 105.1 78.13 78 105.2 73.0 72 105.3 61.4 61 105.4 43.61 43 105.5 22.81 22 105.6 5.84 5 105.7 0.0 0 120.2 0.86 0 120.3 3.33 3 120.4 8.72 8 120.5 18.25 18 120.6 32.74 32 120.7 51.66 51 120.8 72.07 71 120.9 89.13 89 121.0 98.73 98 121.1 100.0 99 121.2 94.07 93 121.3 80.79 80 121.4 59.19 59 121.5 32.63 32 121.6 9.86 9 121.7 0.0 0 146.6 1.93 1 146.7 3.49 3 146.8 5.29 5 146.9 6.75 6 147.0 7.46 7 147.1 7.55 7 147.2 7.29 7 147.3 6.46 6 147.4 4.68 4 147.5 2.3 2 //