ACCESSION: MSBNK-RIKEN_NPDepo-NGA02297
RECORD_TITLE: 2'-Hydroxy-2,4,4'-trimethoxychalcone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Animal, Pyrans

CH$NAME: 2'-Hydroxy-2,4,4'-trimethoxychalcone
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C₁₈H₁₈O₅
CH$EXACT_MASS: 314.3412
CH$SMILES: COc1ccc(C(=O)/C=C/c2ccc(OC)cc2OC)c(O)c1
CH$IUPAC: InChI=1S/C18H18O5/c1-21-13-7-8-15(17(20)10-13)16(19)9-5-12-4-6-14(22-2)11-18(12)23-3/h4-11,20H,1-3H3/b9-5+
CH$LINK: CHEMSPIDER 4741363
CH$LINK: INCHIKEY ZTIPWOFLPVWZDX-WEVVVXLNSA-N
CH$LINK: PUBCHEM CID:5904747

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$SPLASH: splash10-0udi-0900000000-4022be23ebf2399b73de
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  136.6 1.65 1
  136.7 2.75 2
  136.8 3.96 3
  136.9 4.99 4
  137.0 5.52 5
  137.1 5.47 5
  137.2 5.02 5
  137.3 4.36 4
  137.4 3.39 3
  137.5 2.08 2
  147.6 2.05 2
  147.7 3.44 3
  147.8 5.08 5
  147.9 6.65 6
  148.0 7.8 7
  148.1 8.32 8
  148.2 8.09 8
  148.3 6.87 6
  148.4 4.64 4
  148.5 2.11 2
  150.2 0.24 0
  150.3 1.6 1
  150.4 5.93 5
  150.5 14.26 14
  150.6 26.89 26
  150.7 43.45 43
  150.8 62.88 62
  150.9 82.02 81
  151.0 95.67 95
  151.1 100.0 99
  151.2 95.1 95
  151.3 82.16 82
  151.4 61.16 61
  151.5 34.73 34
  151.6 11.14 11
  151.7 0.0 0
  175.5 2.14 2
  175.6 3.85 3
  175.7 6.63 6
  175.8 10.42 10
  175.9 14.24 14
  176.0 16.77 16
  176.1 17.51 17
  176.2 16.74 16
  176.3 14.52 14
  176.4 10.64 10
  176.5 5.83 5
  176.6 1.87 1
  190.4 1.57 1
  190.5 3.28 3
  190.6 5.91 5
  190.7 10.32 10
  190.8 17.21 17
  190.9 25.54 25
  191.0 32.53 32
  191.1 35.86 35
  191.2 35.02 34
  191.3 30.35 30
  191.4 22.21 22
  191.5 12.24 12
  191.6 3.74 3
//