ACCESSION: MSBNK-RIKEN_NPDepo-NGA02300
RECORD_TITLE: 2'-Hydroxy-2,4,4'-trimethoxychalcone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-014i-0209000000-3c1ac0021546e2098389
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  150.6 2.08 2
  150.7 3.61 3
  150.8 5.35 5
  150.9 6.84 6
  151.0 7.7 7
  151.1 7.81 7
  151.2 7.22 7
  151.3 5.95 5
  151.4 4.1 4
  151.5 2.07 2
  190.4 0.83 0
  190.5 2.11 2
  190.6 4.27 4
  190.7 7.54 7
  190.8 11.95 11
  190.9 16.87 16
  191.0 20.88 20
  191.1 22.74 22
  191.2 22.18 22
  191.3 19.38 19
  191.4 14.46 14
  191.5 8.21 8
  191.6 2.66 2
  314.3 0.47 0
  314.4 2.8 2
  314.5 7.43 7
  314.6 14.88 14
  314.7 26.58 26
  314.8 43.8 43
  314.9 64.6 64
  315.0 83.7 83
  315.1 96.24 96
  315.2 100.0 99
  315.3 93.21 93
  315.4 74.02 73
  315.5 45.39 45
  315.6 17.46 17
  315.7 1.16 1
//