ACCESSION: MSBNK-RIKEN_NPDepo-NGA03350
RECORD_TITLE: o-hydroxydibenzoylmethane; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
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$SPLASH: splash10-00di-0900000000-03b271e3783e67789a49
PK$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
//