MassBank Record: NGA03351

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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)

ACCESSION: NGA03351
RECORD_TITLE: o-hydroxydibenzoylmethane; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-00di-0910000000-103dc6076fd0018ee0ff
PK$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
//