MassBank Record: NGA02298



 2'-Hydroxy-2,4,4'-trimethoxychalcone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA02298
RECORD_TITLE: 2'-Hydroxy-2,4,4'-trimethoxychalcone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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: splash10-0006-0901000000-3af56fead129d7fb83bd PK$NUM_PEAK: 59 PK$PEAK: m/z int. rel.int. 150.3 1.09 1 150.4 3.7 3 150.5 8.97 8 150.6 17.43 17 150.7 29.16 29 150.8 43.15 43 150.9 56.43 56 151.0 65.19 65 151.1 67.19 67 151.2 62.35 62 151.3 51.2 51 151.4 34.96 34 151.5 17.46 17 151.6 4.28 4 175.7 2.13 2 175.8 3.28 3 175.9 4.71 4 176.0 5.95 5 176.1 6.45 6 176.2 5.93 5 176.3 4.59 4 176.4 2.91 2 190.3 0.35 0 190.4 2.75 2 190.5 8.8 8 190.6 19.68 19 190.7 35.68 35 190.8 55.71 55 190.9 76.42 76 191.0 92.61 92 191.1 100.0 99 191.2 97.28 97 191.3 84.42 84 191.4 61.87 61 191.5 34.01 33 191.6 10.21 10 191.7 0.0 0 272.6 1.4 1 272.7 2.63 2 272.8 4.36 4 272.9 6.31 6 273.0 8.03 8 273.1 9.16 9 273.2 9.45 9 273.3 8.65 8 273.4 6.61 6 273.5 3.75 3 314.5 1.47 1 314.6 2.9 2 314.7 5.38 5 314.8 9.29 9 314.9 14.1 14 315.0 18.51 18 315.1 21.32 21 315.2 21.91 21 315.3 19.77 19 315.4 14.72 14 315.5 8.08 8 315.6 2.41 2 //