MassBank Record: NGA03352



 o-hydroxydibenzoylmethane; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA03352
RECORD_TITLE: o-hydroxydibenzoylmethane; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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: 240.2611 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: CHEMSPIDER 66483 CH$LINK: INCHIKEY OABFIJGAEVKMJP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3061714 CH$LINK: PUBCHEM CID:73849
AC$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$SPLASH: splash10-006x-0960000000-35a2a1e64b63d6b11e0f PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 104.3 0.79 0 104.4 2.28 2 104.5 5.34 5 104.6 10.02 10 104.7 16.46 16 104.8 24.58 24 104.9 32.95 32 105.0 38.79 38 105.1 40.21 40 105.2 37.49 37 105.3 31.43 31 105.4 22.32 22 105.5 11.66 11 105.6 2.97 2 120.2 0.36 0 120.3 1.53 1 120.4 5.44 5 120.5 13.17 13 120.6 24.78 24 120.7 39.86 39 120.8 57.32 57 120.9 74.04 73 121.0 84.99 84 121.1 86.53 86 121.2 79.04 78 121.3 65.07 65 121.4 46.51 46 121.5 25.93 25 121.6 8.53 8 121.7 0.61 0 240.3 0.86 0 240.4 3.65 3 240.5 9.13 9 240.6 16.57 16 240.7 26.86 26 240.8 42.58 42 240.9 63.99 63 241.0 85.6 85 241.1 99.28 99 241.2 100.0 99 241.3 86.95 86 241.4 62.39 62 241.5 33.0 32 241.6 8.99 8 241.7 0.0 0 //

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