MassBank Record: NGA02297



 2'-Hydroxy-2,4,4'-trimethoxychalcone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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 TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Animal, Pyrans

CH$NAME: 2'-Hydroxy-2,4,4'-trimethoxychalcone CH$COMPOUND_CLASS: Flavonoids CH$FORMULA: C18H18O5 CH$EXACT_MASS: 314.34116 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$LINK: PUBCHEM CID:4741363 CH$LINK: INCHIKEY ZTIPWOFLPVWZDX-WEVVVXLNSA-N
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 //