ACCESSION: MSBNK-RIKEN_NPDepo-CB000304
RECORD_TITLE: 2'-Hydroxy-2,4,4'-trimethoxychalcone; LC-ESI-QQQ; MS; [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: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0914000000-d4ef1bc89eef021e43b9
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
132.7000 121175.3047 21
134.5000 135009.6250 24
134.7000 153177.5938 27
134.8000 138676.5781 24
134.9000 201847.7656 36
135.1000 125508.9688 22
135.2000 160344.7656 28
135.3000 118675.1328 21
136.5000 162844.9688 29
136.6000 232016.5625 42
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136.8000 238350.3594 43
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137.0000 301021.5000 54
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147.4000 204014.5938 36
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316.8000 166345.2031 29
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317.1000 159678.0781 28
317.2000 124675.5469 22
317.3000 131842.7344 23
//
