ACCESSION: MSBNK-RIKEN_NPDepo-NGA03254
RECORD_TITLE: liquiritigenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-0a4i-0490000000-d1210ff3c372efa6f3e3
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  136.3 0.51 0
  136.4 2.58 2
  136.5 6.39 6
  136.6 11.34 11
  136.7 16.98 16
  136.8 23.47 23
  136.9 30.05 30
  137.0 34.27 34
  137.1 34.21 34
  137.2 30.07 30
  137.3 22.93 22
  137.4 13.9 13
  137.5 5.3 5
  137.6 0.2 0
  146.3 0.89 0
  146.4 2.12 2
  146.5 3.8 3
  146.6 6.03 6
  146.7 9.16 9
  146.8 13.18 13
  146.9 17.07 17
  147.0 19.43 19
  147.1 19.76 19
  147.2 18.44 18
  147.3 15.44 15
  147.4 10.5 10
  147.5 4.77 4
  147.6 0.65 0
  210.8 2.11 2
  210.9 3.28 3
  211.0 4.29 4
  211.1 4.73 4
  211.2 4.47 4
  211.3 3.61 3
  211.4 2.35 2
  256.2 0.13 0
  256.3 1.35 1
  256.4 6.21 6
  256.5 14.09 14
  256.6 24.3 24
  256.7 37.99 37
  256.8 56.65 56
  256.9 77.53 77
  257.0 93.62 93
  257.1 100.0 99
  257.2 96.68 96
  257.3 84.08 83
  257.4 61.51 61
  257.5 33.02 32
  257.6 8.98 8
  257.7 0.0 0
//