ACCESSION: MSBNK-RIKEN_NPDepo-NGA03343
RECORD_TITLE: 3',4',6-Trimethoxyflavanone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [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$SPLASH: splash10-0006-0901000000-d0568e510803d488213a
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  150.3 0.77 0
  150.4 2.57 2
  150.5 6.53 6
  150.6 13.28 13
  150.7 23.13 23
  150.8 35.49 35
  150.9 47.96 47
  151.0 57.08 57
  151.1 60.55 60
  151.2 57.98 57
  151.3 49.33 49
  151.4 34.98 34
  151.5 18.16 18
  151.6 4.68 4
  162.7 2.38 2
  162.8 3.48 3
  162.9 4.91 4
  163.0 6.31 6
  163.1 7.12 7
  163.2 7.05 7
  163.3 6.28 6
  163.4 5.03 5
  163.5 3.38 3
  176.4 1.56 1
  176.5 3.19 3
  176.6 6.31 6
  176.7 10.91 10
  176.8 16.76 16
  176.9 23.06 23
  177.0 28.25 28
  177.1 30.77 30
  177.2 29.84 29
  177.3 25.45 25
  177.4 18.16 18
  177.5 9.72 9
  177.6 2.84 2
  190.3 0.99 0
  190.4 3.36 3
  190.5 8.31 8
  190.6 17.17 17
  190.7 31.64 31
  190.8 51.96 51
  190.9 74.33 74
  191.0 91.97 91
  191.1 100.0 99
  191.2 97.77 97
  191.3 85.64 85
  191.4 63.67 63
  191.5 35.88 35
  191.6 11.66 11
  191.7 0.08 0
  254.7 2.45 2
  254.8 4.02 4
  254.9 5.98 5
  255.0 7.92 7
  255.1 9.38 9
  255.2 9.97 9
  255.3 9.31 9
  255.4 7.25 7
  255.5 4.24 4
  255.6 1.44 1
  282.8 2.87 2
  282.9 4.05 4
  283.0 5.33 5
  283.1 6.44 6
  283.2 7.06 7
  283.3 6.79 6
  283.4 5.36 5
  283.5 3.13 3
  314.4 0.94 0
  314.5 2.69 2
  314.6 5.76 5
  314.7 10.7 10
  314.8 17.8 17
  314.9 26.26 26
  315.0 34.18 34
  315.1 39.84 39
  315.2 42.27 42
  315.3 40.23 40
  315.4 32.36 32
  315.5 19.83 19
  315.6 7.42 7
  315.7 0.23 0
//