ACCESSION: MSBNK-RIKEN_NPDepo-CB000302
RECORD_TITLE: liquiritigenin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C15H12O4
COMMENT: Bottle Name:Liquiritigenin
COMMENT: PRIME Parent Name:4',7-Dihydroxyflavanone
COMMENT: PRIME in-house No.:T0084, Pyrans

CH$NAME: Liquiritigenin
CH$NAME: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CH$NAME: liquiritigenin
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C₁₅H₁₂O₄
CH$EXACT_MASS: 256.2605
CH$SMILES: O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)ccc21
CH$IUPAC: InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
CH$LINK: CAS 578-86-9
CH$LINK: CHEMSPIDER 102790
CH$LINK: INCHIKEY FURUXTVZLHCCNA-AWEZNQCLSA-N
CH$LINK: COMPTOX DTXSID90206493
CH$LINK: PUBCHEM CID:114829

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$SPLASH: splash10-0a4i-0290000000-08d1855f72f5938ba3c8
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  100.2000 186149.6719 27
  118.6000 154011.0000 22
  118.8000 217651.9375 32
  119.0000 168966.6250 24
  119.1000 150828.9688 22
  119.2000 186467.8750 27
  136.4000 634818.1250 96
  136.5000 772282.5000 117
  136.6000 873789.6875 132
  136.7000 1282682.5000 195
  136.8000 1275363.8750 194
  136.9000 1332959.0000 203
  137.0000 2414536.0000 369
  137.1000 1501925.7500 229
  137.2000 927248.0625 141
  137.3000 877289.9375 133
  137.4000 897973.3125 136
  137.5000 217333.7188 32
  137.7000 161329.7344 23
  137.9000 182649.3906 27
  138.0000 261882.3594 39
  146.3000 160693.3281 23
  146.4000 208423.9688 30
  146.5000 466169.6563 70
  146.6000 448986.6250 67
  146.7000 657092.3750 99
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  210.6000 145737.6719 21
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  257.2000 4783250.5000 732
  257.3000 6521602.0000 999
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  258.0000 1314503.0000 200
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  258.7000 173421.4688 25
  258.8000 217651.9063 32
  258.9000 213197.0469 31
  259.0000 207787.5938 30
  259.1000 212242.4375 31
  259.2000 160693.3281 23
//