MassBank Record: NGA03352

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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)

ACCESSION: NGA03352
RECORD_TITLE: o-hydroxydibenzoylmethane; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, 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
//