ACCESSION: MSBNK-RIKEN_NPDepo-NGA03253
RECORD_TITLE: liquiritigenin; 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: 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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$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$SPLASH: splash10-0a4i-0090000000-a7ba2896b37fffc417cc
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  136.6 1.82 1
  136.7 3.0 2
  136.8 4.6 4
  136.9 6.29 6
  137.0 7.42 7
  137.1 7.5 7
  137.2 6.53 6
  137.3 4.88 4
  137.4 2.94 2
  256.3 0.9 0
  256.4 3.15 3
  256.5 8.7 8
  256.6 19.03 19
  256.7 34.56 34
  256.8 54.26 54
  256.9 74.96 74
  257.0 91.55 91
  257.1 100.0 99
  257.2 99.46 99
  257.3 89.69 89
  257.4 69.39 69
  257.5 41.04 40
  257.6 14.3 14
  257.7 0.23 0
//