ACCESSION: MSBNK-RIKEN_NPDepo-NGA03342
RECORD_TITLE: 3',4',6-Trimethoxyflavanone; 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, 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$SPLASH: splash10-014i-0709000000-808909139e8752cf8209
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  150.4 1.03 1
  150.5 2.84 2
  150.6 5.63 5
  150.7 9.3 9
  150.8 13.72 13
  150.9 18.17 18
  151.0 21.24 21
  151.1 21.86 21
  151.2 20.15 20
  151.3 16.68 16
  151.4 11.75 11
  151.5 6.17 6
  151.6 1.65 1
  176.5 1.72 1
  176.6 3.45 3
  176.7 6.08 6
  176.8 9.31 9
  176.9 12.42 12
  177.0 14.63 14
  177.1 15.64 15
  177.2 15.46 15
  177.3 13.88 13
  177.4 10.55 10
  177.5 6.0 5
  177.6 1.9 1
  190.4 1.46 1
  190.5 3.82 3
  190.6 8.01 8
  190.7 14.39 14
  190.8 22.45 22
  190.9 30.59 30
  191.0 36.97 36
  191.1 40.48 40
  191.2 40.71 40
  191.3 36.91 36
  191.4 28.29 28
  191.5 16.29 16
  191.6 5.3 5
  191.7 0.01 0
  314.3 0.44 0
  314.4 1.99 1
  314.5 5.62 5
  314.6 12.23 12
  314.7 23.39 23
  314.8 40.58 40
  314.9 62.31 62
  315.0 82.97 82
  315.1 96.5 96
  315.2 100.0 99
  315.3 92.2 92
  315.4 72.07 71
  315.5 43.03 42
  315.6 15.45 15
  315.7 0.0 0
//