ACCESSION: MSBNK-RIKEN_NPDepo-NGA03341
RECORD_TITLE: 3',4',6-Trimethoxyflavanone; 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, Pyrans

CH$NAME: 3',4',6-Trimethoxyflavanone
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C₁₈H₁₈O₅
CH$EXACT_MASS: 314.3412
CH$SMILES: COc1ccc2c(c1)C(=O)CC(c1ccc(OC)c(OC)c1)O2
CH$IUPAC: InChI=1S/C18H18O5/c1-20-12-5-7-15-13(9-12)14(19)10-17(23-15)11-4-6-16(21-2)18(8-11)22-3/h4-9,17H,10H2,1-3H3
CH$LINK: INCHIKEY KYRMOZFTJMQBFZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2922801

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$SPLASH: splash10-014i-0009000000-c770aed40d6b9b327162
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  190.6 1.49 1
  190.7 2.54 2
  190.8 3.9 3
  190.9 5.56 5
  191.0 7.15 7
  191.1 8.16 8
  191.2 8.25 8
  191.3 7.39 7
  191.4 5.62 5
  191.5 3.25 3
  314.3 0.45 0
  314.4 2.38 2
  314.5 6.71 6
  314.6 14.35 14
  314.7 26.25 26
  314.8 42.86 42
  314.9 62.83 62
  315.0 82.24 82
  315.1 95.95 95
  315.2 100.0 99
  315.3 92.12 92
  315.4 71.85 71
  315.5 43.28 43
  315.6 16.19 16
  315.7 0.92 0
//